Month: December 2022

An alternative synthesis of sodium cyanodithioformate and the disodium salt of cis-1,2-dicyanoethylene-1,2-dithiol was written by Hoepping, Alexander;Mengel, Rudolf;Mayer, Roland. And the article was included in Journal fuer Praktische Chemie/Chemiker-Zeitung in 1998.HPLC of Formula: 17281-59-3 This article mentions the following:

A new synthesis of Na cyanodithioformate and the disodium salt of cis-1,2-dicyanoethylene-1,2-dithiol is reported. The key step involves a nucleophilic thiolation with elemental S starting from a substituted acetonitrile. This method may serve as a cyanide- and CS₂-free alternative in the preparation of the title compounds In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3HPLC of Formula: 17281-59-3).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) 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. 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: 17281-59-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis and properties of [(thiocarbamoyl)methyl]pyridinium (isoquinolinium) ylides was written by Berseneva, V. S.;Bakulev, V. A.;Mokrushin, V. S.;Lebedev, A. T.. And the article was included in Khimiya Geterotsiklicheskikh Soedinenii in 1989.Synthetic Route of C7H7ClN2 This article mentions the following:

Treating pyridinium or isoquinolinium ylides I (R = CN) with H₂S in EtOH containing NaOEt gave ylides I (R = CSNH₂). The isoquinoline derivatives were cyclized by 1-chloro-2,4-dinitrobenzene to give 32% imidazoloisoquinoline II. Addnl. obtained from I were 15 and 30% imidazolopyridine and isoquinolines III, resp. In the experiment, the researchers used many compounds, for example, 1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3Synthetic Route of C7H7ClN2).

1-(Cyanomethyl)pyridin-1-ium chloride (cas: 17281-59-3) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Synthetic Route of C7H7ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Machine learning for the prediction of viscosity of ionic liquid-water mixtures was written by Chen, Yuqiu;Peng, Baoliang;Kontogeorgis, Georgios M.;Liang, Xiaodong. And the article was included in Journal of Molecular Liquids in 2022.Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide This article mentions the following:

In this work, a nonlinear model that integrates the group contribution (GC) method with a well-known machine learning algorithm, i.e., artificial neural network (ANN), is proposed to predict the viscosity of ionic liquid (IL)-water mixtures After a critical assessment of all data points collected from literature, a dataset covering 8,523 viscosity data points of IL-H₂O mixtures at different temperature (272.10 K-373.15 K) is selected and then applied to evaluate the proposed ANN-GC model. The results show that this ANN-GC model with 4 or 5 neurons in the hidden layer is capable to provide reliable predictions on the viscosities of IL-H₂O mixtures With 4 neurons in the hidden layer, the ANN-GC model gives a mean absolute error (MAE) of 0.0091 and squared correlation coefficient (R²) of 0.9962 for the 6,586 training data points, and for the 1,937 test data points they are 0.0095 and 0.9952, resp. When this nonlinear model has 5 neurons in the hidden layer, it gives a MAE of 0.0098 and R² of 0.9958 for the training dataset, and for the test dataset they are 0.0092 and 0.9990, resp. In addition, comparisons show that the nonlinear ANN-GC model proposed in this work has much better prediction performance on the viscosity of IL-H₂O mixtures than that of the linear mixed model. In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide).

1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Application In Synthesis of 1-Butyl-4-methylpyridin-1-ium bromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ionic Liquid-Promoted Formylation of N(sp²)-Heteroarenes with CO₂/H₂ over Pd/C was written by Li, Ruipeng;Zhao, Yanfei;Wang, Huan;Li, Dongyang;Wu, Yunyan;Zhang, Hongye;Tang, Minhao;Liu, Zhimin. And the article was included in ACS Sustainable Chemistry & Engineering in 2021.HPLC of Formula: 626-64-2 This article mentions the following:

Ionic liquid (IL)-promoted formylation of N(sp²)-heteroarenes with CO₂ and H₂ to produce formamides over the Pd/C nanocatalyst were studied. It was found that the combination of Pd/C with CO₂-reactive IL, for example, tetrabutylphosphonium succinimide ([P₄₄₄₄][Suc]), achieved the hydrogenation of N(sp₂)-heteroarenes and subsequent formylation with CO₂/H₂. A mechanism investigation indicated that [P₄₄₄₄][Suc] was simultaneously activated CO₂ and N-heteroarenes via by forming carbamate and hydrogen bonds, resp.; meanwhile, it modified the catalytic activity of metal Pd via electron transfer, thus accomplished the production of formamides from N(sp²)-heteroarenes and CO₂/H₂ in combination with Pd/C. This catalytic system was tolerant to a wide substrate scope, afforded the corresponding formamides in moderate to high yields. The high efficacy enabled the designed IL-Pd/C catalytic system of high practical potential. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2HPLC of Formula: 626-64-2).

Pyridin-4-ol (cas: 626-64-2) 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, 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: 626-64-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Amidinyl Radical Formation through Anodic N-H Bond Cleavage and Its Application in Aromatic C-H Bond Functionalization was written by Zhao, Huai-Bo;Hou, Zhong-Wei;Liu, Zhan-Jiang;Zhou, Ze-Feng;Song, Jinshuai;Xu, Hai-Chao. And the article was included in Angewandte Chemie, International Edition in 2017.Category: pyridine-derivatives This article mentions the following:

We report herein an atom-economical and sustainable approach to access amidinyl radical intermediates through the anodic cleavage of N-H bonds. The resulting nitrogen-centered radicals undergo cyclizations with (hetero)arenes, followed by rearomatization, to afford functionalized tetracyclic benzimidazoles, e.g., I (X-rays crystal structure shown), in a highly straightforward and efficient manner. This metal- and reagent-free C-H/N-H cross-coupling reaction exhibits a broad substrate scope and proceeds with high chemoselectivity. In the experiment, the researchers used many compounds, for example, 2-(Methylamino)nicotinonitrile (cas: 52583-87-6Category: pyridine-derivatives).

2-(Methylamino)nicotinonitrile (cas: 52583-87-6) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chemoinformatics Profiling of Ionic Liquids-Uncovering Structure-Cytotoxicity Relationships With Network-like Similarity Graphs was written by Cruz-Monteagudo, Maykel;Cordeiro, Maria Natalia Dias Soeiro. And the article was included in Toxicological Sciences in 2014.Synthetic Route of C10H16ClN This article mentions the following:

Ionic liquids (ILs) constitute one of the hottest areas in chem. since they have become increasingly popular as reaction and extraction media. Their almost limitless structural possibilities, as opposed to limited structural variations within mol. solvents, make ILs “designer solvents.”. They also have been widely promoted as “green solvents” although their claimed relative nontoxicity has been frequently questioned. The Thinking in Structure-Activity Relationships (T-SAR) approach has proved to be an efficient method to gather relevant toxicol. information of analog series of ILs. However, when data sets significantly grow in size and structural diversity, the use of computational models becomes essential. The authors provided such a computational solution in a previous work by introducing a reliable, predictive, simple, and chem. interpretable Classification and Regression Tree (CART) classifier enabling the prioritization of ILs with a favorable cytotoxicity profile. Even so, an efficient and exhaustive mining of SAR information goes beyond analog compound series and the applicability domain of quant. SAR modeling. So, the authors decided to complement the authors’ previous findings based on the use of the CART classifier by applying the network-like similarity graph (NSG) approach to the mining of relevant structure-cytotoxicity relationship (SCR) trends. Finally, the SCR information concurrently gathered by both, quant. (CART classifier) and qual. (NSG) approaches was used to design a focused combinatorial library enriched with potentially safe ILs. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Synthetic Route of C10H16ClN).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) 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.Synthetic Route of C10H16ClN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis and molecular structure of hetero-metallic cluster CpCoW(CO)₂(S₂C₂B₁₀H₁₀)₂ and binuclear half-sandwich Co complex [Cp^*Co(S₂C₂B₁₀H₁₀)]₂(bpo) with dichalcogenolate o-carboranyl ligands was written by Zhang, Jia-Sheng;Jin, Guo-Xin. And the article was included in Inorganic Chemistry Communications in 2008.Name: 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole This article mentions the following:

Cobalt and cobalt-tungsten binuclear carboranyl dithiolates were prepared and characterized by crystal structure determination The mononuclear 16-electron “pseudo-aromatic” dithio-o-carboranylcobalt complex [Cp’Co(S₂C₂B₁₀H₁₀)] (1a,b; Cp’ = η⁵-C₅H₅, η⁵-C₅Me₅) were prepared by treatments of [Cp’Co(CO)I₂] with the dilithium carboranyl dithiolate Li₂S₂C₂B₁₀H₁₀. Both of 1a and 1b react with 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) to give dicobalt complexes [Cp’Co(S₂C₂B₁₀H₁₀)[(4-NC₅H₄-κN)-2,5-C₂N₂O-(4-C₅H₄N-κN)]CoCp'(S₂C₂B₁₀H₁₀)] (2a,b, same Cp’). Complex 1a reacts with tungsten(0) complex W(CO)₃(py)₃ to produce a heterobinuclear Co-W complex [CpCo(μ-S₂C₂B₁₀H₁₀)W(CO)₂(S₂C₂B₁₀H₁₀)] (3a). The mol. structures of 1b, 2b and 3a have been determined by x-ray crystallog. In the experiment, the researchers used many compounds, for example, 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7Name: 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole).

2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole (cas: 15420-02-7) 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. 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: 2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Metabolomic analysis of garlic varieties revealed high cycloalliin content in fresh and black Kinkyou bulbs was written by Fujikawa, Mamoru;Oshima, Hisaka;Matsuoka, Hiromi;Tamura, Hirotoshi. And the article was included in Food Science and Technology Research in 2021.Electric Literature of C5H5NO This article mentions the following:

Garlic has unique aroma and functional components, exhibits anti-platelet aggregation activity, anti-allergic effects of ajoene, and so on, and is indispensable for many tasty dishes. To understand the characteristic metabolites, comprehensive metabolomic anal. of water-soluble components from garlic and black garlic (Kinkyou, Taisou, and Katei lines and Fukuchi White cultivar) was carried out using GC/MS. Kinkyou, which is cultivated as a new line in Kagawa, Japan, was assessed for physiol. important components in comparison with 3 popular garlic types. The loading values of principal component anal. of the characteristics of Kinkyou were mainly attributed to glutamic acid, threonine, cycloalliin, and so on. The amount of cycloalliin as a typical functional component of Kinkyou was determined to be about 327 mg/100 g dry weight by HPLC anal. (2-fold that of the other 3 garlic). Addnl., the amount of cycloalliin in Kinkyou black garlic after processing was increased to 420 mg/100 g dry weight In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Electric Literature of C5H5NO).

Pyridin-4-ol (cas: 626-64-2) 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. Electric Literature of C5H5NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

An Ullmann C-O Coupling Reaction Catalyzed by Magnetic Copper Ferrite Nanoparticles was written by Yang, Shuliang;Wu, Cunqi;Zhou, Hua;Yang, Yanqin;Zhao, Yongxia;Wang, Chenxu;Yang, Wei;Xu, Jingwei. And the article was included in Advanced Synthesis & Catalysis in 2013.COA of Formula: C11H9NO This article mentions the following:

Herein, an efficient method for the Ullmann C-O coupling reaction between various kinds of phenols and aryl halides, including amino, ketone, cyano, Me, methoxy, fluoro, chloro and bromo derivatives, is described. The catalyst used, copper ferrite (CuFe₂O₄) nanoparticles, are easily made, air-stable, and of low cost. The catalyst can be recycled easily just by using an external magnet. Even in the presence of sensitive substituents, the reaction proceeds successfully to provide the desired products in high yields without protection of other functional groups. In the experiment, the researchers used many compounds, for example, 2-Phenoxypyridine (cas: 4783-68-0COA of Formula: C11H9NO).

2-Phenoxypyridine (cas: 4783-68-0) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. 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.COA of Formula: C11H9NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lewis Basic Salt-Promoted Organosilane Coupling Reactions with Aromatic Electrophiles was written by Reidl, Tyler W.;Bandar, Jeffrey S.. And the article was included in Journal of the American Chemical Society in 2021.Safety of 4-Methylpicolinonitrile This article mentions the following:

Lewis basic salts promoted organotrimethylsilane coupling with (hetero)aryl nitriles, sulfones and chlorides as a new route to 1,1-diarylalkanes. This method combined the substrate modularity and selectivity characteristic of cross-coupling with the practicality of a base-promoted protocol. In addition, a Lewis base strategy enabled a complementary scope to existing methods, employed stable and easily prepared organosilanes and achieved selective arylation in the presence of acidic functional groups. The utility of this method was demonstrated by the synthesis of pharmaceutical analogs and its use in multicomponent reactions. In the experiment, the researchers used many compounds, for example, 4-Methylpicolinonitrile (cas: 1620-76-4Safety of 4-Methylpicolinonitrile).

4-Methylpicolinonitrile (cas: 1620-76-4) 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 derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Safety of 4-Methylpicolinonitrile

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem