methyl {2-[1-cyano-2-(4-methoxyphenyl)iminoethylidene]-3-methyl-4-oxothiazolidin-5-ylidene}acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl {2-[1-cyano-2-(4-methoxyphenyl)iminoethylidene]-3-methyl-4-oxothiazolidin-5-ylidene}acetate
• 英文别名: Methyl {2-[1-cyano-2-(4-methoxyphenyl)iminoethylidene]-3-methyl-4-oxothiazolidin-5-ylidene}-acetate；methyl 2-[2-[1-cyano-2-(4-methoxyphenyl)iminoethylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]acetate
• 化学式: C₁₇H₁₅N₃O₄S
• 分子量: 357.39
• InChiKey: CTUVDVVONDKQGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-cyano-3-(dimethylamino)-N-methylprop-2-enethioamide 在 盐酸 、 三乙胺 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 生成 methyl {2-[1-cyano-2-(4-methoxyphenyl)iminoethylidene]-3-methyl-4-oxothiazolidin-5-ylidene}acetate
  参考文献：
  名称：

  Reaction of Enamines and Azaenamines Containing a Thioamide Group with Dimethyl Acetylenedicarboxylate

  摘要：

  The reaction between enamines and azaenamines containing a thioamide group and dimethyl acetylenedicarboxylate was studied under various conditions. It was shown that exchanging one of the carbon atoms in the structure of the investigated compounds for a nitrogen atom significantly affected the reactivity. Functionalized thiopyrans and thiazolidinones were obtained during this investigation.

  DOI：

  10.1007/s10593-014-1543-y

文献信息

• Reaction of Enamines and Azaenamines Containing a Thioamide Group with Dimethyl Acetylenedicarboxylate
  作者：N. P. Belskaya、K. I. Lugovik、A. D. Ivina、V. A. Bakulev、Z. J. Fan

  DOI：10.1007/s10593-014-1543-y

  日期：2014.9

  The reaction between enamines and azaenamines containing a thioamide group and dimethyl acetylenedicarboxylate was studied under various conditions. It was shown that exchanging one of the carbon atoms in the structure of the investigated compounds for a nitrogen atom significantly affected the reactivity. Functionalized thiopyrans and thiazolidinones were obtained during this investigation.