Tag: 100-200

Solvent and substituent effects on fluorine-19 chemical shifts in some 5-substituted 2-fluoropyridines was written by Giam, Choo-Seng;Lyle, James L.. And the article was included in Journal of the Chemical Society [Section] B: Physical Organic in 1970.Name: 6-Fluoronicotinonitrile This article mentions the following:

The 19F NMR chem. shifts of several 5-substituted 2-fluoropyridines in 4 widely different solvents have been measured. The effects of solvents and substituents on the shifts paralleled those in the benzene series with certain modifications. In the experiment, the researchers used many compounds, for example, 6-Fluoronicotinonitrile (cas: 3939-12-6Name: 6-Fluoronicotinonitrile).

6-Fluoronicotinonitrile (cas: 3939-12-6) 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. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Name: 6-Fluoronicotinonitrile

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Comparison of Mainstream Smoke Composition from CR20 Resin Filter and Empty-Cavity Filter Cigarettes by Headspace SPME Coupled with GC×GC TOFMS and Chemometric Analysis was written by Brokl, Michal;Morales, Valle;Bishop, Louise;Wright, Christopher G.;Liu, Chuan;Focant, Jean-Francois;Nicol, James;McAdam, Kevin G.. And the article was included in Beitraege zur Tabakforschung International in 2018.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

Summary : A previously established method based on headspace solidphase microextraction (HS-SPME) and comprehensive two-dimensional gas chromatog. (GC×GC) coupled to time-of-flight mass spectrometry (TOFMS) has been used to evaluate and compare the profiles of semi-volatile compounds present in mainstream tobacco smoke particulate matter trapped on glass fiber filters for two types of cigarettes differing only in filter design. In the first cigarette, the filter cavity contained approx. 60 mg of a weakly basic macroporous polystyrene resin crosslinked with divinyl benzene and with surface amine functionality (CR20), whereas in the second cigarette, it was empty. Relative quant. anal., chem. identification, and chem. grouping allowed the use of both parametric and non-parametric analyses to identify differences in the chem. composition of the smokes from these cigarettes. The anal. demonstrated that in addition to the selective partial removal of volatile carbonyls and HCN demonstrated previously, CR20 selectively, but incompletely removed 316 compounds from the particulate phase of cigarette smoke, mainly aryl and aromatic hydrocarbons as well as other more volatile species. In contrast, the relative proportion of amines, hydroxylated aromatic compounds and less volatile species was increased in the smoke from the cigarette containing CR20 in the filter. Our findings show that high resolution GC techniques combined with mass spectrometry and chemometric approaches are powerful tools for deconvoluting the complexity of combustion aerosols, as well as helping to identify changes in chem. composition resulting from modifications to cigarette designs. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Application In Synthesis of 2-Isopropylpyridine).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Application In Synthesis of 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Complexes of copper(I) and silver(I) perchlorates with substituted 2-cyanopyridines was written by El-Sayed, Laila;Ragsdale, Ronald O.. And the article was included in Journal of Inorganic and Nuclear Chemistry in 1968.Reference of 1620-76-4 This article mentions the following:

ML2ClO4 [M = Cu, Ag; L = 4-methyl-2-cyanopyridine, 6-methyl-2-cyanopyridine, 4-nitro-2-cyanopyridine (I), 4-chloro-2-cyanopyridine (II)] were prepared by treating MClO4 with a 10-fold excess of L in CH2Cl2. AgLClO4 (L = I and II) were prepared in C6H6 by using a 1:1 mole ratio of metal ion to base. The IR spectra of the complexes indicate that the coordination of the pyridine occurs via the long pair of electrons on the nitrile N. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Reference of 1620-76-4).

4-Methylpicolinonitrile (cas: 1620-76-4) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of âˆ?8.7 × 10âˆ? cm3·molâˆ?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·molâˆ? in the liquid phase and 140.4 kJ·molâˆ? in the gas phase. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Reference of 1620-76-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bismuth as a versatile cation for luminescence in coordination polymers from BiX₃/4,4′-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides was written by Sorg, Jens R.;Wehner, Tobias;Matthes, Philipp R.;Sure, Rebecca;Grimme, Stefan;Heine, Johanna;Mueller-Buschbaum, Klaus. And the article was included in Dalton Transactions in 2018.Safety of Pyridinehydrochloride This article mentions the following:

Coordination polymers (CPs) with Bi(III) as a connectivity center were prepared from BiX₃ (X = Cl-I) and 4,4′-bipyridine (bipy) to implement Bi-based luminescence. The products were obtained via different synthetic routes such as solution chem., melt syntheses or mechanochem. reactions. Five neutral and anionic 1-dimensional-CPs are presented that show a chem. parallel to trivalent lanthanides forming isostructural or closely related 1-dimensional-CPs, of which five addnl. compounds are described. Bi³⁺ proves to be a versatile cation for luminescence resulting from energy transfer processes between a metal and a ligand in the presented CPs. Quantum chem. calculations were carried out to study Bi³⁺-participation in the luminescence processes. The calculated results allow an assignment of the bright transitions composed of mainly metal-to-ligand-charge transfer (MLCT) character. Bi³⁺ can form strongly luminescent coordination compounds with N-donor ligands. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Safety of Pyridinehydrochloride).

Pyridinehydrochloride (cas: 628-13-7) 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.Safety of Pyridinehydrochloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The ionic hydrogen bond. 1. Sterically hindered bonds. Solvation and clustering of protonated amines and pyridines was written by Meot-Ner, Michael;Sieck, L. Wayne. And the article was included in Journal of the American Chemical Society in 1983.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

The gas-phase dissociation energy (determined for high-pressure mass spectra) of the homocongugates (R₃N)₂H⁺(I; R = Me, Et, Pr, Bu) and II (R = R¹ = H, Me,Et, Me₂CH, Me₃C; R = H; R¹ = Me, Me₂CH, Me₃C) and the corresponding hydrates (H₂O heteroconjugates) R₃N⁺H·H₂O and III are steric effect independent. Steric hindrance to dimeric association or hydraton is reflected in large dissociation entropy (ΔS⁰) terms. The steric contribution to ΔS⁰ ranges up to 12, 17, and 19 cal mol^-1 K^-1 for I (R = Me₂CH), I (R = Bu), and III (R = R¹ = Me₃C) (IV). The large steric entropy factor in IV is due to the simultaneous freezing of the rotations of both Me₃C groups and of the H₂O on hydration. A comparison of the gas-phase proton affinity with the organic basicity of hindered pyridines shows that steric hindrance to ion solvation in bulk H₂O is comparable in magnitude to steric hindrance of solvation by only one H₂O mol. The bond strength is not weakened by steric crowding when at least a single conformation exists in which the H-bond in homo- or heteroconjugates can obtain an optimal geometry. Steric crowding results in major entropy effects due to the hindrance of internal rotors in both homoconjugates and heteroconjugate monohydrates. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Application In Synthesis of 2-Isopropylpyridine).

2-Isopropylpyridine (cas: 644-98-4) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Application In Synthesis of 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of monofluorinated indolizines and their derivatives by the 1,3-dipolar reaction of N-ylides with fluorinated vinyl tosylates was written by Fang, Xiang;Wu, Yong-Ming;Deng, Juan;Wang, Shao-Wu. And the article was included in Tetrahedron in 2004.Electric Literature of C7H7ClN2 This article mentions the following:

Monofluorinated indolizines, benzo[d]indolizines and 4H-pyrrolo[1,2-a]benzimidazoles were synthesized in moderate yields by 1,3-dipolar cycloaddition reaction between fluorinated vinyl tosylates and N-ylides of pyridinium, isoquinolinium and benzimidazolium, generated in situ from their halide salts. When the same N-ylides were allowed to react with 2,3,3-trifluoro-1-propenyl tosylate, the unexpected product formylated indolizines and their derivatives, e.g., I, were obtained. A reaction mechanism is also proposed. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Electric Literature of C7H7ClN2).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of âˆ?8.7 × 10âˆ? cm3·molâˆ?.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·molâˆ? in the liquid phase and 140.4 kJ·molâˆ? in the gas phase. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Electric Literature of C7H7ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Site-selective D₂O-mediated deuteration of diaryl alcohols via quantum dots photocatalysis was written by Nan, Xiao-Lei;Wang, Yao;Li, Xu-Bing;Tung, Chen-Ho;Wu, Li-Zhu. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2021.Product Details of 91-02-1 This article mentions the following:

Owing to the high synthetic value of deuteration in the pharmaceutical industry, the conversion of a range of aromatic ketones to deuterium-labeled products such as RR¹CD(OH) [R = Ph, 4-ClC₆H₄, 4-BrC₆H₄, 4-CNC₆H₄, 4-PhC₆H₄; R¹ = Ph, 2-thienyl, 2-naphthyl, etc.] in good to excellent yields was described. Efficient and site-selective deuteration of benzyl alcs. by D₂O with visible light irradiation of quantum dots (QDs), together with gram-scale synthesis and photocatalyst recycling experiments indicated the potential of the developed method in practical organic synthesis. 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 groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Product Details of 91-02-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

1,2-Silylpyridylation Reaction of Aryl Alkenes with Silylboronate was written by Gao, Liuzhou;Liu, Xueting;Li, Guoao;Chen, Shengda;Cao, Jia;Wang, Guoqiang;Li, Shuhua. And the article was included in Organic Letters in 2022.Safety of 2-Fluoroisonicotinonitrile This article mentions the following:

A metal-free silyl-pyridylation of alkenes using silyl boronates and B₂pin₂ through a pyridine-mediated B-interelement activation was demonstrated, which provides a practical strategy for a variety of C₄-silylalkylated pyridines. DFT calculations and control experiments show that the reaction proceeds through a silyl radical addition/radical-radical coupling sequence. This protocol features a broad substrate scope and excellent functional group compatibility, and thus it showcases great potential in the late-stage modification of bioactive mols. In the experiment, the researchers used many compounds, for example, 2-Fluoroisonicotinonitrile (cas: 3939-14-8Safety of 2-Fluoroisonicotinonitrile).

2-Fluoroisonicotinonitrile (cas: 3939-14-8) belongs to pyridine derivatives. Pyridine has a conjugated system of six π electrons that are delocalized over the ring. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Safety of 2-Fluoroisonicotinonitrile

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Optimized strategies to synthesize β-cyclodextrin-oxime conjugates as a new generation of organo-phosphate scavengers was written by Le Provost, Romain;Wille, Timo;Louise, Ludivine;Masurier, Nicolas;Mueller, Susanne;Reiter, Georg;Renard, Pierre-Yves;Lafont, Olivier;Worek, Franz;Estour, Francois. And the article was included in Organic & Biomolecular Chemistry in 2011.Related Products of 1620-76-4 This article mentions the following:

A new generation of organo-phosphate (OP) scavengers was obtained by synthesis of β-cyclodextrin-oxime derivatives Selective mono-substitution of β-cyclodextrin was the main difficulty in order to access these compounds, because reaction onto the oligosaccharide was closely related to the nature of the incoming group. For this purpose, non-conventional activation conditions were also evaluated. OP hydrolytic activity of compounds was evaluated against cyclosarin (GF) and VX. None of the tested compounds was active against VX, but these five cyclodextrin derivatives detoxified GF, and the most active scavengers allowed an almost complete hydrolysis of GF within 10 min. Even more fascinating is the fact that title compounds were able to hydrolyze enantioselectively GF. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Related Products of 1620-76-4).

4-Methylpicolinonitrile (cas: 1620-76-4) 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. 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.Related Products of 1620-76-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Discovery, design and synthesis of novel potent and selective sphingosine-1-phosphate 4 receptor (S1P₄-R) agonists was written by Guerrero, Miguel;Urbano, Mariangela;Zhao, Jian;Crisp, Melissa;Chase, Peter;Hodder, Peter;Schaeffer, Marie-Therese;Brown, Steven;Rosen, Hugh;Roberts, Edward. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2012.Computed Properties of C6H6N2O3 This article mentions the following:

High affinity and selective small mol. agonists of the S1P₄ receptor (S1P₄-R) may have significant therapeutic utility in diverse disease areas including autoimmune diseases, viral infections and thrombocytopenia. A high-throughput screening (HTS) of the Mol. Libraries-Small Mol. Repository library identified 3-(2-(2,4-dichlorophenoxy)ethoxy)-6-methyl-2-nitropyridine (I) as a moderately potent and selective S1P₄-R hit agonist. Design, synthesis and systematic structure-activity relationships study of the HTS-derived hit led to the development of novel potent S1P₄-R agonists exquisitely selective over the remaining S1P_1-3,5-Rs family members. Remarkably, the mols. herein reported provide novel pharmacol. tools to decipher the biol. function and assess the therapeutic utility of the S1P₄-R. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Computed Properties of C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Computed Properties of C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem