Category: 644-98-4

Sulfur(IV)-Mediated Unsymmetrical Heterocycle Cross-Couplings was written by Zhou, Min;Tsien, Jet;Qin, Tian. And the article was included in Angewandte Chemie, International Edition in 2020.Synthetic Route of C8H11N This article mentions the following:

Despite the tremendous utilities of metal-mediated cross-couplings in modern organic chem., coupling reactions involving nitrogenous heteroarenes remain a challenging undertaking – coordination of Lewis basic atoms into metal centers often necessitate elevated temperature, high catalyst loading, etc. Herein, the authors report a sulfur (IV) mediated cross-coupling amendable for the efficient synthesis of heteroaromatic substrates. Addition of heteroaryl nucleophiles to a simple, readily-accessible alkyl sulfinyl (IV) chloride gave a trigonal bipyramidal sulfurane intermediate. Reductive elimination therefrom provides bis-heteroaryl products in a practical and efficient fashion. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Synthetic Route of C8H11N).

2-Isopropylpyridine (cas: 644-98-4) 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. Synthetic Route of C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Catalytic activity of sterically hindered heterocyclic tertiary amines in thiosemicarbazide formation was written by Yanchuk, N. I.. And the article was included in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii) in 1998.SDS of cas: 644-98-4 This article mentions the following:

Kinetics of the reaction of diphenylphosphinic hydrazide with Ph isothiocyanate in benzene at 25° in the presence of 2-alkyl-substituted pyridines and N-methylbenzimidazoles were studied. Steric and inductive components of the nucleophilicity of these tertiary amines were determined The catalytic activity of pyridines was more sensitive to steric demand of the catalytic center compared with that of benzimidazoles. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4SDS of cas: 644-98-4).

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. 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. SDS of cas: 644-98-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Prediction of blood-brain barrier permeation using quantum chemically derived information was written by Hutter, Michael C.. And the article was included in Journal of Computer-Aided Molecular Design in 2003.Formula: C8H11N This article mentions the following:

A model for the prediction of the blood-brain distribution (logBB) is obtained by multiple regression anal. of mol. descriptors for a training set of 90 compounds The majority of the descriptors are derived from quantum chem. information using semi-empirical AM1 calculations to compute fundamental properties of the mols. investigated. The polar surface area of the compounds can be described appropriately by six descriptors derived from the mol. electrostatic potential. This set shows a strong correlation with the observed logBB. Addnl. quantum chem. computed properties that contribute to the final model comprise the ionization potential and the covalent hydrogen-bond basicity. Complementary descriptors account for the presence of certain chem. groups, the number of hydrogen-bond donors, and the number of rotatable bonds of the compounds The quality of the fit is further improved by including variables derived from principal component anal. of the mol. geometry. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Formula: C8H11N).

2-Isopropylpyridine (cas: 644-98-4) 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. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Formula: C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Preparation of isopropyl- and tert-butylpyridines from methylpyridines by phase-transfer catalyzed alkylation was written by Hart, Lionel S.;Killen, Christopher R. J.;Saunders, Kenwyn D.. And the article was included in Journal of the Chemical Society, Chemical Communications in 1979.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

2-Methylpyridine on quaternization with MeI, followed by alkylation with MeI in aqueous NaOH/CH₂Cl₂ catalyzed by Bu₄N⁺ OH^– and dequaternization with 4-MeC₆H₄SNa (I), gave 36% 2-isopropylpyridine. Similar sequential quaternization, phase-transfer-catalyzed methylation and dequaternization of 2,6-dimethylpyridine gave 40% 2,6-diisopropylpyridine, whereas 4-methylpyridine gave 37% 4-tert-butylpyridine. 4-tert-Butyl-2,6-diisopropylpyridine was similarly obtained (20%) from 2,4,6-trimethylpyridine. Contact with a CH₂Cl₂ solution of the dequaternization products may lead to an allergic reaction resulting in extreme sensitivity to contact with I. 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. 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.Application In Synthesis of 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reactivity model for the Menschutkin reaction. Methylation of alkyl-substituted and heterosubstituted pyridines was written by Schug, John C.;Viers, Jimmy W.;Seeman, Jeffrey I.. And the article was included in Journal of Organic Chemistry in 1983.Reference of 644-98-4 This article mentions the following:

The relative activation energies for the methylation of pyridine and 37 alkyl- and 6 heterosubstituted pyridines were calculated using semiempirical all-valence electron (MINDO/3) SCF procedures. The alkylation rates covered >5 orders of magnitude. A reactivity model was constructed by placing a Me⁺ moiety 1.88 Å from the pyridine N and completely optimizing the Me⁺-substrate supermol. A transition-state (TS) model was determined by considering the dequaternization of the N-methylpyridinium cation. The energy difference between the TS model and the completely optimized ground-state mol. for the 44 compounds resulted in a good correlation with the logarithms of the methylation rate constants Implications of this work to nonadditive steric and electronic effects are considered. The model is used to evaluate changes in the TS position in these methylations. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Reference of 644-98-4).

2-Isopropylpyridine (cas: 644-98-4) 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.Reference of 644-98-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Prediction of blood-brain barrier permeation using quantum chemically derived information was written by Hutter, Michael C.. And the article was included in Journal of Computer-Aided Molecular Design in 2003.Formula: C8H11N This article mentions the following:

A model for the prediction of the blood-brain distribution (logBB) is obtained by multiple regression anal. of mol. descriptors for a training set of 90 compounds The majority of the descriptors are derived from quantum chem. information using semi-empirical AM1 calculations to compute fundamental properties of the mols. investigated. The polar surface area of the compounds can be described appropriately by six descriptors derived from the mol. electrostatic potential. This set shows a strong correlation with the observed logBB. Addnl. quantum chem. computed properties that contribute to the final model comprise the ionization potential and the covalent hydrogen-bond basicity. Complementary descriptors account for the presence of certain chem. groups, the number of hydrogen-bond donors, and the number of rotatable bonds of the compounds The quality of the fit is further improved by including variables derived from principal component anal. of the mol. geometry. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Formula: C8H11N).

2-Isopropylpyridine (cas: 644-98-4) 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. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Formula: C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Preparation of isopropyl- and tert-butylpyridines from methylpyridines by phase-transfer catalyzed alkylation was written by Hart, Lionel S.;Killen, Christopher R. J.;Saunders, Kenwyn D.. And the article was included in Journal of the Chemical Society, Chemical Communications in 1979.Application In Synthesis of 2-Isopropylpyridine This article mentions the following:

2-Methylpyridine on quaternization with MeI, followed by alkylation with MeI in aqueous NaOH/CH₂Cl₂ catalyzed by Bu₄N⁺ OH^– and dequaternization with 4-MeC₆H₄SNa (I), gave 36% 2-isopropylpyridine. Similar sequential quaternization, phase-transfer-catalyzed methylation and dequaternization of 2,6-dimethylpyridine gave 40% 2,6-diisopropylpyridine, whereas 4-methylpyridine gave 37% 4-tert-butylpyridine. 4-tert-Butyl-2,6-diisopropylpyridine was similarly obtained (20%) from 2,4,6-trimethylpyridine. Contact with a CH₂Cl₂ solution of the dequaternization products may lead to an allergic reaction resulting in extreme sensitivity to contact with I. 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. 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.Application In Synthesis of 2-Isopropylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reactivity model for the Menschutkin reaction. Methylation of alkyl-substituted and heterosubstituted pyridines was written by Schug, John C.;Viers, Jimmy W.;Seeman, Jeffrey I.. And the article was included in Journal of Organic Chemistry in 1983.Reference of 644-98-4 This article mentions the following:

The relative activation energies for the methylation of pyridine and 37 alkyl- and 6 heterosubstituted pyridines were calculated using semiempirical all-valence electron (MINDO/3) SCF procedures. The alkylation rates covered >5 orders of magnitude. A reactivity model was constructed by placing a Me⁺ moiety 1.88 Å from the pyridine N and completely optimizing the Me⁺-substrate supermol. A transition-state (TS) model was determined by considering the dequaternization of the N-methylpyridinium cation. The energy difference between the TS model and the completely optimized ground-state mol. for the 44 compounds resulted in a good correlation with the logarithms of the methylation rate constants Implications of this work to nonadditive steric and electronic effects are considered. The model is used to evaluate changes in the TS position in these methylations. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Reference of 644-98-4).

2-Isopropylpyridine (cas: 644-98-4) 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.Reference of 644-98-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem