Benzyl 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate | 312757-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Benzyl 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate
• CAS: 312757-88-3
• 化学式: C₂₈H₂₂N₂O₃S
• 分子量: 466.56
• InChiKey: LIWMCTSGLNFLAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  97.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Benzyl 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以3.9 g的产率得到benzyl 3-amino-4-(2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
  参考文献：
  名称：

  A New Version of Multicomponent Synthesis of 4,6-Diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile Derivatives

  摘要：

  Multicomponent condensation of aromatic aldehydes with acetophenones, cyanothioacetamide, and alkylating agents has been shown to provide synthetic routes to various pyridine and thienopyridine derivatives. The structure of some of the synthesized heterocycles has been confirmed by X-ray analysis.

  DOI：

  10.1134/s1070428018090014
• 作为产物：
  描述：

  邻甲氧基苯甲醛 在 N-甲基吗啉 、 potassium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.25h， 生成 Benzyl 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate
  参考文献：
  名称：

  New example of acyl cleavage of benzoyl-1,1,1-trifluoroacetone in a three-component synthesis of 4-aryl-2-thioxo-6-phenyl-1,2-dihydropyridine-3-carbonitriles

  摘要：

  A three-component condensation of aromatic aldehydes, cyanothioacetamide, and benzoyl-1,1,1-trifluoroacetone, involving the acyl cleavage of the latter, results in 4-aryl-2-thioxo-6-phenyl-1,2-dihydropyridine-3-carbonitriles. Their alkylation was studied.

  DOI：

  10.1134/s1070363212050180

文献信息

• A New Version of Multicomponent Synthesis of 4,6-Diaryl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile Derivatives
  作者：I. V. Dyachenko、V. D. Dyachenko、E. G. Polupanenko、P. V. Dorovatovskii、V. N. Khrustalev、V. G. Nenajdenko

  DOI：10.1134/s1070428018090014

  日期：2018.9

  Multicomponent condensation of aromatic aldehydes with acetophenones, cyanothioacetamide, and alkylating agents has been shown to provide synthetic routes to various pyridine and thienopyridine derivatives. The structure of some of the synthesized heterocycles has been confirmed by X-ray analysis.
• New example of acyl cleavage of benzoyl-1,1,1-trifluoroacetone in a three-component synthesis of 4-aryl-2-thioxo-6-phenyl-1,2-dihydropyridine-3-carbonitriles
  作者：V. D. Dyachenko

  DOI：10.1134/s1070363212050180

  日期：2012.5

  A three-component condensation of aromatic aldehydes, cyanothioacetamide, and benzoyl-1,1,1-trifluoroacetone, involving the acyl cleavage of the latter, results in 4-aryl-2-thioxo-6-phenyl-1,2-dihydropyridine-3-carbonitriles. Their alkylation was studied.