Tag: 100-200

In silico cytotoxicity estimation of ionic liquids based on their two- and three-dimensional structural descriptors was written by Fatemi, Mohammad H.;Izadiyan, Parisa. And the article was included in Monatshefte fuer Chemie in 2011.SDS of cas: 125652-55-3 This article mentions the following:

The cytotoxicity of a series of ionic liquids containing ammonium, pyrrolidinium, imidazolium, pyridinium, and piperidinium cations against leukemia rat cell line IPC-81 was estimated from their structural parameters using quant. structure-activity relationship methodol. Linear and nonlinear models were developed using genetic algorithm multiple linear regression and multilayer perceptron neural network approaches. Robustness and reliability of the constructed models were evaluated by internal, external, and Y-randomization procedures. Furthermore, the chem. applicability domain was determined via a leverage approach for each model. The results of this study revealed that the contribution of structural characteristics of the anionic parts of the studied ILs were fewer than of the cationic parts. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3SDS of cas: 125652-55-3).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.SDS of cas: 125652-55-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Biocompatible and low-cost pyridinium halides catalysts promoted ring-opening polymerizations of cyclic esters in bulk was written by Wang, Haixin;Yao, Zhiwei;Li, Zhenjiang;Zhu, Yuejia;Zhang, Chan;Luo, Zikun;Guo, Tianfo;Gao, Yu;Zhang, Lei;Guo, Kai. And the article was included in European Polymer Journal in 2020.HPLC of Formula: 628-13-7 This article mentions the following:

Polyesters produced by ring-opening polymerization (ROP) of cyclic monomers using organocatalysts were well developed in academia. Industrially viable ROPs were polymerizations at elevated temperatures in the bulk, thus desirable features of useful organocatalysts would be thermal stable, reasonably active in fast polymerization but mild enough to avoid transesterification. More importantly, the polyesters containing residue organocatalyst should met biosafety regulations. In these regards, series of pyridinium halides readily prepared by one step from mass-produced pyridines and hydrohalic acids were evaluated in ROPs of L-lactide (LLA), trimethylene carbonate (TMC), δ-valerolactone, and ε-caprolactone in the bulk. An optimal catalyst 4-(N,N-dimethylamino)pyridine hydrochloride (DMAP·HCl) was examined in the catalytic performances in ROPs of LLA, TMC, and diblock copolymerization affording PTMC-b-PLLA. Bulk ROP of LLA at 140 °C produced PLLAs by near quant. conversions with precise mol. weights (M_n,NMR = 3.3-16.6 kg mol^-1) and narrow dispersities (D = 1.13-1.17). Kinetics data, chain extension experiments, and MALDI-ToF MS anal. all supported the controlled/living nature of the ROPs. A bifunctional activation mechanism in which pyridinium activated the monomer and halide activated the initiator/chain end was proposed and validated by ¹H NMR and ¹³C NMR titrations Poly(L-lactide) samples prepared by bulk ROPs of LLA that containing residue catalyst DMAP·HCl were tested by MTT assay in L929 mouse fibroblasts in vitro. High level of relative growth rate (RGR 93.6-96.8%) revealed favorable biosafety of the sample PLLAs. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7HPLC of Formula: 628-13-7).

Pyridinehydrochloride (cas: 628-13-7) 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. HPLC of Formula: 628-13-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Solvent and substituent effects on the conversion of 4-methoxypyridines to N-methyl-4-pyridones was written by Yi, Xiao;Chen, Jing;Xu, Xiuling;Ma, Yongmin. And the article was included in Synthetic Communications in 2017.Computed Properties of C7H9NO This article mentions the following:

In the reaction of 4-methoxypyridine derivatives with alkyl iodides in the presence or absence of solvent, not only the pyridinium ions but also the related 1-methylpyridones are produced. The presence of solvent favors the formation of the 1-methylpyridone. Electron withdrawing groups on the pyridine ring also favor this conversion. A possible mechanism is presented. In the experiment, the researchers used many compounds, for example, 4-Methoxy-2-methylpyridine (cas: 24103-75-1Computed Properties of C7H9NO).

4-Methoxy-2-methylpyridine (cas: 24103-75-1) 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.Computed Properties of C7H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reactions of pyridinium salts and pyridine bases. V. Synthesis of γ-alkoxy-, -alkylmercapto-, and -alkyl-substituted pyridines was written by Vompe, A. F.;Monich, N. V.;Meskhi, L. M.. And the article was included in Zhurnal Organicheskoi Khimii in 1974.HPLC of Formula: 27876-24-0 This article mentions the following:

4-Phenoxypyridine (I) condensed with NaOR (R = Me, Et, Me2CH, Bu, Me2CHCH2CH2, cyclohexyl, 1-dodecyl) at 110-70° to give the corresponding alkoxypyridines II in 83-97% yields. Similarly, I and NaSR1 (R1 = Et, Pr, Bu, hexyl) gave the (alkylthio)pyridines III. I and R2MgX (R2 = alkyl, isoalkyl, cycloalkyl; X = Br, Cl, iodide) were heated at 115-190° in a N atm. for 3-10 hr to give the alkylpyridines IV. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0HPLC of Formula: 27876-24-0).

4-Hexylpyridine (cas: 27876-24-0) 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. 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.HPLC of Formula: 27876-24-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Photochemistry of pyridine N-oxides was written by Lohse, Christian;Hagedorn, Linda;Albini, Angelo;Fasani, Elisa. And the article was included in Tetrahedron in 1988.Application In Synthesis of 3,5-Dimethylpyridine 1-oxide This article mentions the following:

Photolysis of pyridine N-oxide in aqueous basic solution yields the anion of 5-hydroxypentadienenitrile. Kinetic data are obtained from flash photolytic measurements. The reaction is extended to twenty substituted pyridine N-oxides, including deuterated derivatives, as well as 10 other exptl. conditions (amines as the base in organic solvents). The results can be rationalized as involving primary photorearrangement to open-chain nitrene (I) (τ 62 ms in water) , which rearranges in low yield to 2-formylpyrrole or undergoes polymerization to tars. In the presence of bases, this intermediate is efficiently deprotonated to the anion of 5-hydroxypentadienenitrile (k = 690 M^-1s^-1 for the reaction of I with OH^–). The relation of this new rearrangement to other photoprocesses of heterocyclic N-oxides is discussed. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Application In Synthesis of 3,5-Dimethylpyridine 1-oxide).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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.Application In Synthesis of 3,5-Dimethylpyridine 1-oxide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of 3-hydroxy- and 3-carboxy-Δ²-isoxazoline amino acids and evaluation of their interaction with GABA receptors and transporters was written by Conti, Paola;De Amici, Marco;Pinto, Andrea;Tamborini, Lucia;Grazioso, Giovanni;Frolund, Bente;Nielsen, Birgitte;Thomsen, Christian;Ebert, Bjarke;De Micheli, Carlo. And the article was included in European Journal of Organic Chemistry in 2006.Computed Properties of C10H17NO2 This article mentions the following:

A series of 3-hydroxy- and 3-carboxy-Δ²-isoxazoline amino acids acids, structurally related to the GABA_A agonist THIP and to the GABA uptake inhibitors THPO, was prepared by means of synthetic strategies involving the 1,3-dipolar cycloaddition of nitrile oxides. All derivatives were submitted to a pharmacol. investigation at both GABA receptors and transporters. Unfortunately, all amino acids were devoid of activity except for a very low affinity at GABA_A receptors, displayed by compounds I and II. In the experiment, the researchers used many compounds, for example, tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4Computed Properties of C10H17NO2).

tert-Butyl 5,6-dihydropyridine-1(2H)-carboxylate (cas: 85838-94-4) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Computed Properties of C10H17NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Low catalyst loadings for copper-catalyzed O-arylation of phenols and heteroaryl halides under mild conditions was written by Yong, Fui-Fong;Teo, Yong-Chua;Yan, Yaw-Kai;Chua, Guan-Leong. And the article was included in Synlett in 2012.Synthetic Route of C11H9NO This article mentions the following:

A practical and mild strategy has been developed for the cross-coupling of O-arylation of phenol with differently substituted aryl halides and heteroaryl iodides using low catalyst loading of copper iodide under low operating temperature in DMF with TMHD as the ligand and Cs₂CO₃ as the base. This method tolerates a variety of functional groups including sterically hindered phenols and heteroaryl iodides to afford products in good to excellent yields (up to 95%). In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0Synthetic Route of C11H9NO).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). 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.Synthetic Route of C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Bronsted Acidic NO₂⁺ Generation was written by Juarez-Ornelas, Kevin A.;Jimenez-Halla, J. Oscar C.;Kato, Terumasa;Solorio-Alvarado, Cesar R.;Maruoka, Keiji. And the article was included in Organic Letters in 2019.Electric Literature of C6H6N2O3 This article mentions the following:

The first catalytic procedure for the electrophilic nitration of phenols was developed using iodosylbenzene as an organocatalyst based on iodine(III) and aluminum nitrate as a nitro group source. This atom-economic protocol occurs under mild, non-Bronsted acidic and open-flask reaction conditions with a broad functional-group tolerance including several heterocycles. D. functional theory (DFT) calculations at the (SMD:MeCN)Mo8-HX/(LANLo8+f,6-311+G*) level indicated that the reaction proceeds through a cationic pathway that efficiently generates the NO₂⁺ ion, which is the nitrating species under neutral conditions. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2Electric Literature of C6H6N2O3).

3-Hydroxy-6-methyl-2-nitropyridine (cas: 15128-90-2) 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. Electric Literature of C6H6N2O3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Enantioselective modification of sulfonamides and sulfonamide-containing drugs via carbene organic catalysis was written by Song, Runjiang;Liu, Yingguo;Majhi, Pankaj Kumar;Ng, Pei Rou;Hao, Lin;Xu, Jun;Tian, Weiyi;Zhang, Long;Liu, Hongmei;Zhang, Xinglong;Chi, Yonggui Robin. And the article was included in Organic Chemistry Frontiers in 2021.SDS of cas: 1075-62-3 This article mentions the following:

A carbene-catalyzed method for highly enantioselective modification of sulfonamides to 3-(N-substituted)aminophthalides I [R = R¹ = H, Me; RR¹ = OCH₂O; R² = Ph, 4-ClC₆H₄, Bn, etc.; Ar = Ph, 4-O₂NC₆H₄] was disclosed. The reaction proceeded under mild conditions with broad substrate scope, wide functional group tolerance and good to excellent yields. When multiple sulfonamides or amines were present in the same mol., the reaction occurred in a highly chemo-selective manner. Application of this method allowed for selective modification of sulfonamide-containing drug mols. to form the corresponding phthalidyl derivatives, e.g., II as potential prodrugs. Exptl. observations and DFT calculations suggested that the reaction proceeded via a stepwise addition pathway, assisted by Li⁺ ions or protons. Non-covalent interactions, such as cation-π interactions, play important roles in enhancing the reactivity and controlling the enantioselectivity of the reaction. In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3SDS of cas: 1075-62-3).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). 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.SDS of cas: 1075-62-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Regio-Divergent C-H Alkynylation with Janus Directing Strategy via Ir(III) Catalysis was written by Li, Xianwei;Liang, Guangxin;Shi, Zhang-Jie. And the article was included in Chinese Journal of Chemistry in 2020.Computed Properties of C8H11N This article mentions the following:

The ‘one-to-two’ activation model was achieved by slight modification of simple and practical ketoxime and amide functionality. With judicious choice of directing groups, Csp³-H and Csp²-H bond alkynylation reaction and more significantly, dehydrogenative Csp³-H alkynylation were realized by enabling the regio-divergent late-stage modifications of pharmaceuticals. In the experiment, the researchers used many compounds, for example, 2-Isopropylpyridine (cas: 644-98-4Computed Properties of C8H11N).

2-Isopropylpyridine (cas: 644-98-4) 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. 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. Computed Properties of C8H11N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem