N-(5-chloro-2-methylphenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide

• 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: N-(5-chloro-2-methylphenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide
• 化学式: C₂₈H₂₂ClN₃O₂S
• 分子量: 500.021
• InChiKey: IJBRZDUSDLZKBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(5-chloro-2-methylphenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide 在 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-amino-N-(5-chloro-2-methylphenyl)-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
  参考文献：
  名称：

  Reaction of 3-Amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxamides with Ninhydrin

  摘要：

  The reaction ofN-substituted amides of 3-amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxylic acids with ninhydrin in the presence of catalytic amounts of sulfuric acid gave 1 '-spiro[indene-2,2 '-pyrido[3 ',2 ':4,5]thieno[3,2-d]pyrimidine]-1,3,4 '(3 ' H)-triones. Structure of a number of key compounds was studied using 2D NMR spectroscopy; the bioavailability parameters of the obtained compoundsin silicowere calculated. In a laboratory experiment, a moderate antidote effect was revealed with respect to the 2,4-D herbicide for one compound.

  DOI：

  10.1134/s1070363220060043
• 作为产物：
  描述：

  4-甲氧基查耳酮 在 吗啉 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 N-(5-chloro-2-methylphenyl)-2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide
  参考文献：
  名称：

  Reaction of 3-Amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxamides with Ninhydrin

  摘要：

  The reaction ofN-substituted amides of 3-amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxylic acids with ninhydrin in the presence of catalytic amounts of sulfuric acid gave 1 '-spiro[indene-2,2 '-pyrido[3 ',2 ':4,5]thieno[3,2-d]pyrimidine]-1,3,4 '(3 ' H)-triones. Structure of a number of key compounds was studied using 2D NMR spectroscopy; the bioavailability parameters of the obtained compoundsin silicowere calculated. In a laboratory experiment, a moderate antidote effect was revealed with respect to the 2,4-D herbicide for one compound.

  DOI：

  10.1134/s1070363220060043

文献信息

• Reaction of 3-Amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxamides with Ninhydrin
  作者：V. V. Dotsenko、V. S. Muraviev、D. Yu. Lukina、V. D. Strelkov、N. A. Aksenov、I. V. Aksenova、G. D. Krapivin、L. V. Dyadyuchenko

  DOI：10.1134/s1070363220060043

  日期：2020.6

  The reaction ofN-substituted amides of 3-amino-4,6-diarylthieno[2,3-b]pyridine-2-carboxylic acids with ninhydrin in the presence of catalytic amounts of sulfuric acid gave 1 '-spiro[indene-2,2 '-pyrido[3 ',2 ':4,5]thieno[3,2-d]pyrimidine]-1,3,4 '(3 ' H)-triones. Structure of a number of key compounds was studied using 2D NMR spectroscopy; the bioavailability parameters of the obtained compoundsin silicowere calculated. In a laboratory experiment, a moderate antidote effect was revealed with respect to the 2,4-D herbicide for one compound.