Month: January 2023

Single-Chain Magnets Constructed by Using the Strict Orthogonality of Easy-Planes: Use of Structural Flexibility to Control the Magnetic Properties was written by Kajiwara, Takashi;Tanaka, Hiroki;Nakano, Motohiro;Takaishi, Shinya;Nakazawa, Yasuhiro;Yamashita, Masahiro. And the article was included in Inorganic Chemistry in 2010.HPLC of Formula: 1620-76-4 This article mentions the following:

A family of single-chain magnets (SCMs), of which the SCM character originated from the spatial arrangement of high spin Fe^II ions with easy-plane anisotropy, was synthesized, and their magnetic properties were studied. The chain complexes including alternating high-spin Fe^II ions and low-spin Fe^III ions, catena-[Fe^II(ClO₄)₂{Fe^III(bpca)₂}]-ClO₄·3MeNO₂ (1·3MeNO₂), catena-[Fe^II(ClO₄)(H₂O){Fe^III(^MeL)₂}](ClO₄)₂·2MeNO₂·H₂O (2·2MeNO₂·H₂O), catena-[Fe^II(ClO₄)(H₂O){Fe^III(^BuL)₂}](ClO₄)₂·3.5MeNO₂ (3·3.5MeNO₂), and catena-[{Fe^II(ClO₄)(H₂O)Fe^II(H₂O)₂}_0.5{Fe^III(^PhL)₂}](ClO₄)_2.5·4EtNO₂(4·4EtNO₂), were synthesized using bridging ligand Hbpca (bis-(2-pyridylcarbonyl)amine) and its derivatives of H^MeL, H^BuL, and H^PhL each incorporating Me, tert-Bu, or Ph group on the 4-position of pyridyl ring. These complexes showed a typical ferromagnetic behavior on d.c. susceptibility data, and from an a.c. susceptibility measurements, SCM or superparamagnetic behaviors were confirmed with the Δ/k_B values of 22.5(4), 21.8(18), and 28.8(3) K for 1·3MeNO₂, 2·2MeNO₂·H₂O, and 3·3.5MeNO₂, of which the easy-axis anisotropy was originated from the orthogonal arrangement of easy-planes of Fe^II ions. In the crystal structures, cylindrical voids were formed along the chain axis being surrounded by four chains in 1·3MeNO₂, 2·2MeNO₂·H₂O, and 4·4EtNO₂ and two chains in 3·3.5MeNO₂, and solvent mols. as well as coordination-free perchlorate anions occupied these voids in a slightly different fashion depending on the complexes. 2·2MeNO₂·H₂O maintains its chem. composition in a dried condition, whereas 1·3MeNO₂, 3·3.5MeNO₂, and 4·4EtNO₂ easily release solvent mols. to give 1, 3, and 4, resp. 1 And 3 maintain the crystalline character showing slightly different XRD patterns from those of 1·3MeNO₂ and 3·3.5MeNO₂, and an enhancement of SCM character after release of the solvent mols. was observed for both. 4 Lost crystalline character to become amorphous, and it lost the SCM character at the same time. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4HPLC of Formula: 1620-76-4).

4-Methylpicolinonitrile (cas: 1620-76-4) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.HPLC of Formula: 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

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

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

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

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

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

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

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

Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin was written by Metcalf, Brian;Chuang, Chihyuan;Dufu, Kobina;Patel, Mira P.;Silva-Garcia, Abel;Johnson, Carl;Lu, Qing;Partridge, James R.;Patskovska, Larysa;Patskovsky, Yury;Almo, Steven C.;Jacobson, Matthew P.;Hua, Lan;Xu, Qing;Gwaltney, Stephen L.;Yee, Calvin;Harris, Jason;Morgan, Bradley P.;James, Joyce;Xu, Donghong;Hutchaleelaha, Athiwat;Paulvannan, Kumar;Oksenberg, Donna;Li, Zhe. And the article was included in ACS Medicinal Chemistry Letters in 2017.Application In Synthesis of 5-Hydroxy-2-methoxylpyridine This article mentions the following:

The authors report the discovery of a new potent allosteric effector of sickle cell Hb, GBT440 I, that increases the affinity of Hb for oxygen and consequently inhibits its polymerization when subjected to hypoxic conditions. Unlike earlier allosteric activators that bind covalently to Hb in a 2:1 stoichiometry, I binds with a 1:1 stoichiometry. Compound I is orally bioavailable and partitions highly and favorably into the red blood cell with a RBC/plasma ratio of �50. This partitioning onto the target protein is anticipated to allow therapeutic concentrations to be achieved in the red blood cell at low plasma concentrations I is in Phase 2 clin. trials for the treatment of sickle cell disease (NCT02285088). 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. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. 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 5-Hydroxy-2-methoxylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem