Month: December 2022

Application of multivariate image analysis in QSPR study of pK_a of various acids by principal components-least squares support vector machine was written by Veyseh, Somayeh;Hamzehali, Hamideh;Niazi, Ali;Ghasemi, Jahan B.. And the article was included in Journal of the Chilean Chemical Society in 2015.Name: Pyridinehydrochloride This article mentions the following:

A new implemented quant. structure-property relationships (QSPR) method, whose descriptors achieved from bidimensional images, was suggested for the predicting of acidity constant (pKa) of various acid. The resulted descriptors were subjected to principal component anal. (PCA) and the most significant principal components (PCs) were extracted Multivariate image anal. applied to QSPR modeling was done by means of principal component-least squares support vector machine (PC-LSSVM) methods. The resulted model showed high prediction ability with root mean square error of prediction of 0.0195 for PC-LSSVM. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Name: Pyridinehydrochloride).

Pyridinehydrochloride (cas: 628-13-7) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. 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.Name: Pyridinehydrochloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Micelle-Enabled Suzuki-Miyaura Cross-Coupling of Heteroaryl Boronate Esters was written by Guo, Pengfei;Zhang, Hao;Zhou, Jianguang;Gallou, Fabrice;Parmentier, Michael;Wang, Hui. And the article was included in Journal of Organic Chemistry in 2018.Recommanded Product: 175205-82-0 This article mentions the following:

We report a micellar protocol for Suzuki-Miyaura cross-coupling of heteroaryl boronic esters with aryl or heteroaryl halides. The micellar catalysis enables this coupling reaction to run under mild conditions, which avoids the decomposition of heteroaryl boronate esters and allows for high chemoselectivity for cross-coupling reaction with 6-chloropridine-2-boronic ester. The micellar protocol expands the scope of the cross-coupling reaction with challenging heteroaryl boronic esters and complements the existing cross-coupling methods for construction of heterobiaryl building blocks. In the experiment, the researchers used many compounds, for example, 2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0Recommanded Product: 175205-82-0).

2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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. Recommanded Product: 175205-82-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Iron- and Cobalt-Catalyzed Arylation of Azetidines, Pyrrolidines, and Piperidines with Grignard Reagents was written by Barre, Baptiste;Gonnard, Laurine;Campagne, Remy;Reymond, Sebastien;Marin, Julien;Ciapetti, Paola;Brellier, Marie;Guerinot, Amandine;Cossy, Janine. And the article was included in Organic Letters in 2014.Recommanded Product: tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate This article mentions the following:

Iron- and cobalt-catalyzed cross-couplings between iodo-azetidines, -pyrrolidines, -piperidines, and Grignard reagents are disclosed. The reaction is efficient, cheap, chemoselective and tolerates a large variety of (hetero)aryl Grignard reagents. In the experiment, the researchers used many compounds, for example, tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4Recommanded Product: tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate).

tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. 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.Recommanded Product: tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Nickel-Catalyzed Electroreductive Syntheses of Triphenylenes Using ortho-Dihalobenzene-Derived Benzynes was written by Li, Zhao-Ming;Shuai, Bin;Ma, Cong;Fang, Ping;Mei, Tian-Sheng. And the article was included in Chinese Journal of Chemistry in 2022.Computed Properties of C6H3BrF3N This article mentions the following:

Electrochem. nickel-catalyzed syntheses of triphenylenes e.g., I, by a reductive trimerization of ortho-dibromobenzenes e.g.., 5,6-dibromoindane or ortho-bromoarylsulfurofluoridates e.g., 2-bromo-4-fluorophenyl sulfurofluoridate, or by reductive cross-coupling of ortho-dibromobenzenes to 2,2′-diiodobiphenyls, were described. The former provides a practical means for the construction of triphenylene derivatives e.g., ,I in up to 87% isolated yield at room temperature For 1,2-dihalo-3-methylbenzenes and related ortho-trisubstituted substrates, trimerizations proceed with high substrate-controlled regioselectivity for the non-C3h sym. triphenylene isomer. 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Computed Properties of C6H3BrF3N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Non-iminosugar glucocerebrosidase small molecule chaperones was written by Marugan, Juan Jose;Huang, Wenwei;Motabar, Omid;Zheng, Wei;Xiao, Jingbo;Patnaik, Samarjit;Southall, Noel;Westbroek, Wendy;Lea, Wendy A.;Simeonov, Anton;Goldin, Ehud;DeBernardi, Maria A.;Sidransky, Ellen. And the article was included in MedChemComm in 2012.Formula: C11H8BrN This article mentions the following:

Small mol. chaperones are a promising therapeutic approach for the Lysosomal Storage Disorders (LSDs). Here, we report the discovery of a new series of non-iminosugar glucocerebrosidase inhibitors with chaperone capacity, and describe their structure-activity relationship (SAR), selectivity, cell activity and pharmacokinetics. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-phenylpyridine (cas: 54151-74-5Formula: C11H8BrN).

2-Bromo-4-phenylpyridine (cas: 54151-74-5) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Formula: C11H8BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rhodium(III)-catalyzed chelation-assisted ortho-selective carbon-hydrogen alkylation of phenols with diazocarbonyl compounds involving a carbene migratory insertion process was written by Jiao, Lin-Yu;Ning, Zi-Hui;Yin, Xiao-Mei;Hong, Qian;Liu, Shanshan;Ma, Xiao-Xun. And the article was included in Catalysis Communications in 2021.Recommanded Product: 4783-68-0 This article mentions the following:

An efficient and convenient rhodium(III)-catalyzed chelation-assisted ortho-selective carbon-hydrogen bond alkylation of phenols treated with readily available diazocarbonyl compounds as the alkyl source has been described. Migratory carbene insertion represents the principal step to realize this carbenoid coupling transformation, giving rise to a broad rang of alkylated products and at the same time, releasing nitrogen gas as sole byproduct. This protocol offers exclusive regioselectivities, moderate to excellent chem. yields, and good functional group tolerance. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Recommanded Product: 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) 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. 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. Recommanded Product: 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Selective Heterogeneous C-H Activation/Halogenation Reactions Catalyzed by Pd@MOF Nanocomposites was written by Pascanu, Vlad;Carson, Fabian;Solano, Marta Vico;Su, Jie;Zou, Xiaodong;Johansson, Magnus J.;Martin-Matute, Belen. And the article was included in Chemistry – A European Journal in 2016.Synthetic Route of C12H11N This article mentions the following:

A directed heterogeneous C-H activation/halogenation reaction catalyzed by readily synthesized Pd@MOF nanocatalysts was developed. The heterogeneous Pd catalysts used were a novel and environmentally benign Fe-based metal-organic framework (MOF) [Pd@MIL-88B-NH₂(Fe)] and the previously developed Pd@MIL-101-NH₂(Cr). Very high conversions and selectivities were achieved under very mild reaction conditions and in short reaction times. A wide variety of directing groups, halogen sources, and substitution patterns were well tolerated, and valuable polyhalogenated compounds were synthesized in a controlled manner. The synthesis of the Pd-functionalized Fe-based MOF and the recyclability of the two catalysts are also presented. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Synthetic Route of C12H11N).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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.Synthetic Route of C12H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-Like protease based on phthalhydrazide ketones or heteroaromatic esters was written by Zhang, Jianmin;Pettersson, Hanna I.;Huitema, Carly;Niu, Chunying;Yin, Jiang;James, Michael N. G.;Eltis, Lindsay D.;Vederas, John C.. And the article was included in Journal of Medicinal Chemistry in 2007.Name: 3-Hydroxy-6-methyl-2-nitropyridine This article mentions the following:

The 3C-like protease (3CL^pro), which controls the severe acute respiratory syndrome (SARS) coronavirus replication, has been identified as a potential target for drug design in the treatment of SARS. A series of tetrapeptide phthalhydrazide ketones, pyridinyl esters, and their analogs have been designed, synthesized, and evaluated as potential SARS 3CL^pro inhibitors. Some pyridinyl esters, e.g., I, were identified as very potent inhibitors, with IC₅₀ values in the nanomolar range (50-65 nM). Electrospray mass spectrometry indicated a mechanism involving acylation of the active site cysteine thiol for this class of inhibitors. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Name: 3-Hydroxy-6-methyl-2-nitropyridine).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) 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. 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: 3-Hydroxy-6-methyl-2-nitropyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chemoselective and ligand-free synthesis of diaryl ethers in aqueous medium using recyclable alumina-supported nickel nanoparticles was written by Ghatak, Avishek;Khan, Sagar;Roy, Rimi;Bhar, Sanjay. And the article was included in Tetrahedron Letters in 2014.Application of 4783-68-0 This article mentions the following:

An economical and eco-compatible ligand-free protocol for the synthesis of diaryl ethers R¹OR² (R¹ = Ph, 2-pyridyl, 3-pyridyl, etc.; R² = Ph, 2-MeC₆H₄, 4-ClC₆H₄, 2-naphthyl, etc.) from the corresponding aryl halides R¹X (X = Cl, Br, I) and phenols R²OH has been developed using easily accessible alumina-supported nickel nanoparticles as a stable recyclable heterogeneous catalyst in aqueous medium along with a surfactant (SDS) and a mild base (K₂CO₃). Various sensitive functional groups like allyl, alkoxycarbonyl, formyl, oxo, chloro, bromo, amine and nitro were tolerated in this method. Excellent chemoselectivity was demonstrated through competition experiments In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Application of 4783-68-0).

2-Phenoxypyridine (cas: 4783-68-0) 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. 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.Application of 4783-68-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Parallel synthesis enablement of 2-pyridyl-5-cyano-pyrimidine-6-ones-a novel class of HIF-hydroxylase inhibitors was written by Chang, Shang-Poa;Hungerford, William M.;McDonald, Wayne S.;Maguire, Robert J.;Malony, Kelly Q.;Subramanyam, Chakrapani. And the article was included in Tetrahedron Letters in 2010.Application In Synthesis of 4-Hydroxypicolinonitrile This article mentions the following:

The synthesis of various substituted 2-pyridyl-5-cyanopyrimidin-6-ones was accomplished via a three-step protocol. The key aspects of this parallel protocol were the preparation of amidines from nitriles under mild conditions followed by cyclization with Et (ethoxymethylene)cyanoacetate. In the experiment, the researchers used many compounds, for example, 4-Hydroxypicolinonitrile (cas: 475057-86-4Application In Synthesis of 4-Hydroxypicolinonitrile).

4-Hydroxypicolinonitrile (cas: 475057-86-4) 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. 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. Application In Synthesis of 4-Hydroxypicolinonitrile

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem