Day: February 13, 2023

Saher, Saliha et al. published their research in Journal of Molecular Liquids in 2018 | CAS: 125652-55-3

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Recommanded Product: 1-Butyl-3-methylpyridinium Chloride

Pyridinium based ionic liquid: A pretreatment solvent and reaction medium for catalytic conversion of cellulose to total reducing sugars (TRS) was written by Saher, Saliha;Saleem, Haris;Asim, Azmat Mehmood;Uroos, Maliha;Muhammad, Nawshad. And the article was included in Journal of Molecular Liquids in 2018.Recommanded Product: 1-Butyl-3-methylpyridinium Chloride This article mentions the following:

In the last decade, the transformation of lignocellulosic biomass into biofuel through a sugar platform has been an active research subject due to depletion of fossil fuel sources. Total reducing sugars (TRS) obtained from lignocellulosic materials are considered intermediates for the preparation of various valuable chem. compounds In this work, pyridinium based ionic liquids were synthesized and utilized for the dissolution of cellulose and further conversion to TRS in the presence of metal salts as catalysts. The prepared ILs were characterized using 1H NMR and evaluated for the dissolution of cellulose and found that [C4C1Py][Cl] is the best solvent to dissolve it up to 28% at 110 鎺矯. Optical microscopy in conjunction with FTIR, SEM, XRD and TGA analyzes were employed to monitor dissolution phenomenon and ascertain structural changes in regenerated cellulose. SEM results showed disrupted flaky construction for regenerated cellulose. The thermal stability decreased for regenerated cellulose as observed by TGA anal. This desirable change in cellulose after IL pretreatment was utilized to facilitate metal salts based on the catalytic conversion of cellulose to TRS. Among metal salts, CoCl2 was identified as the best one to generate the highest yield of TRS i.e. 78% at 110 鎺矯 for 4 h. Various reaction conditions like time, temperature, and catalyst loading were optimized for catalytic conversion. The optimum conditions were observed at 4 h treatment time, 120 鎺矯 and 12% catalyst loading. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Recommanded Product: 1-Butyl-3-methylpyridinium Chloride).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Recommanded Product: 1-Butyl-3-methylpyridinium Chloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gulledge, Zachary Z. et al. published their research in Organic & Biomolecular Chemistry in 2022 | CAS: 91-02-1

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Product Details of 91-02-1

Chemoselective, osmium-free, dihydroxylation/oxidative cleavage of heteroaryl isoprenes by a contemporary Malaprade reaction was written by Gulledge, Zachary Z.;Pinson, Connor C.;Stovall, Alexander M.;Dzeagu, Fortune O.;Carrick, Jesse D.. And the article was included in Organic & Biomolecular Chemistry in 2022.Product Details of 91-02-1 This article mentions the following:

In this work authors present the development and application of an oxidative cleavage reaction of various pyridinyl isoprenes towards accessing the downstream Me ketone for utilization in advanced cyclizations for the preparation of soft-N-donor complexant scaffolds. This efficient protocol parallels the principles of Green chem. by exchanging KMnO4 for the toxic OsO4 and offers the end-user an efficient, more environmentally friendly option for accessing heteroaryl Me ketones in one hour of reaction time using potassium permanganate and sodium paraperiodate as a synergistically potent oxidative cleavage system. The wide substrate scope defined access to simple, as well as advanced heteroaryl Me ketones. Method development, optimization, substrate scope, preliminary mechanistic observations, and a scale up reaction are delineated herein. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Product Details of 91-02-1).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Product Details of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Singh, Namrata et al. published their research in Indian Journal of Chemistry in 2012 | CAS: 104-73-4

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of 閳?8.7 鑴?10閳? cm3璺痬ol閳?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ璺痬ol閳? in the liquid phase and 140.4 kJ璺痬ol閳? in the gas phase. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Quality Control of 1-Dodecylpyridin-1-ium bromide

Effect of some pyridinium based compounds on the hydrolysis of carboxylate ester was written by Singh, Namrata;Ghosh, Kallol K.;Marek, Jan;Kuca, Kamil. And the article was included in Indian Journal of Chemistry in 2012.Quality Control of 1-Dodecylpyridin-1-ium bromide This article mentions the following:

Nucleophilic reactivity of some pyridinium based compounds towards hydrolysis of p-nitrophenyl acetate (PNPA) has been studied at pH 9.0 and temperature 27鎺矯. The nucleophilic reactivity of newly synthesized pyridinium compounds has been compared with com. available pyridinium based compounds such as pralidoxime and dodecylpyridinium bromide. It has been observed that with an increase in the concentration of these compounds there is an increase in the first order rate constant of the reaction. The apparent acid dissociation constant (pKa) of some compounds have also been determined spectrophotometrically. Oximate ions released from 3-hydroxyiminomethyl-1-dodecylpyridinium bromide (3-HIDDPB) and pralidoxime have proved to be better nucleophilic agents for cleavage of carboxylate ester. Present investigation explores the structure-activity relationship of some pyridinium based compounds with same alkyl tail length. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Quality Control of 1-Dodecylpyridin-1-ium bromide).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of 閳?8.7 鑴?10閳? cm3璺痬ol閳?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ璺痬ol閳? in the liquid phase and 140.4 kJ璺痬ol閳? in the gas phase. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Quality Control of 1-Dodecylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chen, Mu-Wang et al. published their research in Organic Chemistry Frontiers in 2015 | CAS: 175205-82-0

2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Computed Properties of C6H3BrF3N

Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides was written by Chen, Mu-Wang;Ye, Zhi-Shi;Chen, Zhang-Pei;Wu, Bo;Zhou, Yong-Gui. And the article was included in Organic Chemistry Frontiers in 2015.Computed Properties of C6H3BrF3N This article mentions the following:

An enantioselective iridium-catalyzed hydrogenation of trifluoromethyl substituted pyridinium hydrochlorides is described. Introduction of a trifluoromethyl group increases the reactivity due to the electron-withdrawing effect. Three stereogenic centers could be generated in one operation. This methodol. provides a convenient route to chiral poly-substituted piperidines I (R = Me, Et; Ar = Ph, 4-MeC6H4, 4-MeOC6H4, 2-naphthyl, etc.) and II (Ar = Ph, 4-CF3C6H4, 3,5-F2C6H3, 1-naphthyl) with up to 90% ee. In the experiment, the researchers used many compounds, for example, 2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0Computed Properties of C6H3BrF3N).

2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Computed Properties of C6H3BrF3N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kelley, Steven P. et al. published their research in Journal of Coordination Chemistry in 2021 | CAS: 65350-59-6

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide

Structural analysis of mono-substituted N-butyl-pyridinium salts: in search of ionic liquids was written by Kelley, Steven P.;Smetana, Volodymyr;Mudring, Anja-Verena;Rogers, Robin D.. And the article was included in Journal of Coordination Chemistry in 2021.Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide This article mentions the following:

Four mono-substituted N-butylpyridinium salts, 1-butyl-4-dimethylaminopyridinium chloride [b4dmapy]Cl, 1-butyl-4-methylpyridinium bromide [b4mpy]Br, 1-butyl-4-methylpyridinium hexafluorophosphate [b4mpy][PF6], and 1-butyl-3-methylpyridinium hexafluorophosphate [b3mpy][PF6] were synthesized and characterized using single crystal x-ray diffraction. The crystal structures were examined with the intent of identifying ion interactions leading to higher m.ps. of the halide salts with respect to the [PF6]– salts. The changes in hydrogen bonding, C-H璺矾璺熀, and van der Waals interactions were analyzed with respect to anion, functional groups, and the symmetry of the cation to establish interdependence with the compound’s physicochem. properties. The cation-anion interactions are represented by highly directional hydrogen bonds and show strong preference to positions of interaction depending on the anion. The cations of the halide salts show strong tendency towards higher dimensional formations, while those of the [PF6]– salts prefer low dimensional assemblies both being based mainly on the weaker van der Waals interactions. These interactions depend on the shape of the cation but may offer certain structure-ordering rigidity accommodating variable anions. In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide).

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Shin, Eun-Jae et al. published their research in Synlett in 2019 | CAS: 51834-97-0

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ璺痬ol閳? in pyridine vs. 150 kJ璺痬ol閳? in benzene). Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Application In Synthesis of 5-Hydroxy-2-methoxylpyridine

Room-Temperature Ionic Liquids (RTILs) as Green Media for Metal- and Base-Free ipso -Hydroxylation of Arylboronic Acids was written by Shin, Eun-Jae;Kwon, Gyu-Tae;Kim, Seung-Hoi. And the article was included in Synlett in 2019.Application In Synthesis of 5-Hydroxy-2-methoxylpyridine This article mentions the following:

The oxidative hydroxylation of arylboronic acids to the corresponding phenolic compounds under metal- and base-free aerobic conditions is successfully demonstrated on a greener media. Hydrogen peroxide, as an eco-friendly oxidant, is compatible with room-temperature ionic liquids (RTIL)s, providing hydroxylation products of arylboronic acids in an efficient manner. The RTIL support is particularly interesting for its reusability. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0Application In Synthesis of 5-Hydroxy-2-methoxylpyridine).

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ璺痬ol閳? in pyridine vs. 150 kJ璺痬ol閳? in benzene). Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Application In Synthesis of 5-Hydroxy-2-methoxylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ahn, Yeong-Chan et al. published their research in ACS Chemical Biology in 2021 | CAS: 626-64-2

Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Recommanded Product: Pyridin-4-ol

Discovery of 4,4′-Dipyridylsulfide Analogs as “Switchable Electrophiles” for Covalent Inhibition was written by Ahn, Yeong-Chan;May, Valerie K.;Bedford, Guy C.;Tuley, Alfred A.;Fast, Walter. And the article was included in ACS Chemical Biology in 2021.Recommanded Product: Pyridin-4-ol This article mentions the following:

Electrophilic heterocycles offer attractive features as covalent fragments for inhibitor and probe development. A focused library of heterocycles for which protonation can enhance reactivity (called “switchable electrophiles”) is screened for inhibition of the proposed drug target dimethylarginine dimethylaminohydrolase (DDAH). Several novel covalent fragments are identified: 4-chloroquinoline, 4-bromopyridazine, and 4,4-dipyridylsulfide. Mechanistic studies of DDAH inactivation by 4,4-dipyridylsulfide reveal selective covalent S-pyridinylation of the active-site Cys through catalysis by a neighboring Asp residue. Inactivation (kinact/KI = 0.33 M-1s-1) proceeds with release of 4-thiopyridone (0.78 equiv), and structure-activity relationships reveal that the leaving group pKa can be modulated to tune reactivity. The use of a “switchable electrophile” strategy helps impart selectivity, even to fragment-sized modifiers. Identification of 4,4-dipyridylsulfide analogs as inactivators offers an easily tunable covalent fragment with multiple derivatization sites on both the leaving and staying groups. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Recommanded Product: Pyridin-4-ol).

Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C閳ユ弻 in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Recommanded Product: Pyridin-4-ol

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Singh, Yogendra Pratap et al. published their research in Journal of Molecular Structure in 2021 | CAS: 91-02-1

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. Pyridine has a conjugated system of six 锜?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H鐪塩kel criteria for aromatic systems. Pyridine derivatives are also useful as small-molecule 浼?helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Quality Control of Phenyl(pyridin-2-yl)methanone

Molecular structures, spectral, electrochemical, DFT and antioxidant activities of copper(II) complexes with NNO donor Schiff base ligand was written by Singh, Yogendra Pratap;Patel, Satish Kumar. And the article was included in Journal of Molecular Structure in 2021.Quality Control of Phenyl(pyridin-2-yl)methanone This article mentions the following:

The synthesis and solid state structural, spectral and electrochem. solution characterization of [Cu(L)(acpy)]ClO4鑱?strong>1 and [Cu(L)(NO3)] 2 [where L = N’-[(E)-phenyl(pyridin-2-yl)methylidene]thiophene-2-carbohydrazide and acpy = 2,6-Diacetylpyridine] were done by elemental anal., UV-visible, FTIR, electrochem. techniques (CV and DPV) and EPR spectroscopy. The single crystal structures were solved by the x-ray diffraction technique. In complex 1, copper ion is in a distorted octahedral environment. The geometry of copper(II) in complex 2 is distorted square pyramidal (锜?= 0.201). The mono deprotonated, HL ligand act as a tridentate to a copper(II) ion. On the basis of d. functional theory (DFT) calculation, the electronic excitations involve transitions mainly from metal ligand bonding mostly the 浼?LUMO within the dominant Cu dxy character and to 浼?LUMO+1. EPR spectra for polycrystalline samples showed the copper(II) hyperfine features as well as half-field signal which are appropriate for 铻朚s = 鍗? of dimers. Presence of half-field signal in 1 is due to solid-solid interaction (intra-mol.) where as in 2 the nature of interaction is intra-mol. The antioxidant superoxide measurements show that the both complexes 1 and 2 behave as superoxide mimic in alk. nitro blue tetrazolium chloride assay. In the experiment, the researchers used many compounds, for example, Phenyl(pyridin-2-yl)methanone (cas: 91-02-1Quality Control of Phenyl(pyridin-2-yl)methanone).

Phenyl(pyridin-2-yl)methanone (cas: 91-02-1) belongs to pyridine derivatives. Pyridine has a conjugated system of six 锜?electrons that are delocalized over the ring. The molecule is planar and, thus, follows the H鐪塩kel criteria for aromatic systems. Pyridine derivatives are also useful as small-molecule 浼?helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Quality Control of Phenyl(pyridin-2-yl)methanone

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lougiakis, Nikolaos et al. published their research in Chemical & Pharmaceutical Bulletin in 2008 | CAS: 24103-75-1

4-Methoxy-2-methylpyridine (cas: 24103-75-1) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Application In Synthesis of 4-Methoxy-2-methylpyridine

Synthesis and antiviral activity evaluation of some novel acyclic C-nucleosides was written by Lougiakis, Nikolaos;Marakos, Panagiotis;Poul, Nicole;Balzarini, Jan. And the article was included in Chemical & Pharmaceutical Bulletin in 2008.Application In Synthesis of 4-Methoxy-2-methylpyridine This article mentions the following:

The preparation of novel 5-amino or 7-hydroxy substituted pyrazolo[4,3-b]pyridine and pyrazolo[3,4-c]pyridine acyclic C-nucleosides is described. Their synthesis was carried out by condensation of suitably substituted lithiated picolines with 2-benzyloxyethoxymethylchloride followed by pyrazole ring annulation. The compounds were evaluated for their antiviral activity against a wide panel of viruses, but were found inactive at subtoxic concentrations In the experiment, the researchers used many compounds, for example, 4-Methoxy-2-methylpyridine (cas: 24103-75-1Application In Synthesis of 4-Methoxy-2-methylpyridine).

4-Methoxy-2-methylpyridine (cas: 24103-75-1) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Application In Synthesis of 4-Methoxy-2-methylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Viswanadhan, Vellarkad N. et al. published their research in Journal of Chemical Information and Computer Sciences in 1989 | CAS: 27876-24-0

4-Hexylpyridine (cas: 27876-24-0) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Safety of 4-Hexylpyridine

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics was written by Viswanadhan, Vellarkad N.;Ghose, Arup K.;Revankar, Ganapathi R.;Robins, Roland K.. And the article was included in Journal of Chemical Information and Computer Sciences in 1989.Safety of 4-Hexylpyridine This article mentions the following:

At. values for physicochem. properties are an important guide for correlating the observed biol. activity of the ligands to their chem. structure. The objective of the present work was to (i) report the hydrophobicity and the molar refractivity for P and Se atoms at different structural environments that are ubiquitous in biol. active systems, (ii) refine the at. values of the various elements reported earlier to satisfy the largely extended data set, and (iii) suggest a method for selecting the best superposition of different mols. on a reference structure using these at. physicochem. properties. The octanol-water partition coefficient was used to scale the at. hydrophobicity. The hydrophobicity values of 120 atom types were evaluated from 893 compounds The observed and calculated octanol-water partition coefficient showed a correlation coefficient of 0.926 and a standard deviation of 0.496. The at. refractivity values were evaluated from the molar refractivities of 538 compounds; the corresponding correlation coefficient and standard deviation were 0.999 and 0.774, resp. The at. values were tested by predicting the resp. properties for a large number of compounds The superposition methods was applied to certain naturally occurring nucleoside antibiotics. The algorithm presented showed various important superpositions of 閳? mols. with min. phys. assistance to avoid any personal bias. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0Safety of 4-Hexylpyridine).

4-Hexylpyridine (cas: 27876-24-0) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Safety of 4-Hexylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem