N-(2,2-dimethoxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: N-(2,2-dimethoxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
• 英文别名: N-(2,2-dimethoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• 化学式: C₁₃H₁₉NO₃S
• mdl: MFCD14791922
• 分子量: 269.365
• InChiKey: XLGGOQINJKGHBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  75.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2,2-dimethoxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 在 硫酸 作用下， 反应 2.0h， 以63%的产率得到6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-c]pyridin-1(2H)-one
  参考文献：
  名称：

  Ethyl 2-Aminothiophene-3-Carboxylates in the Synthesis of Isomeric Thienopyridines

  摘要：

  A convenient method for the synthesis of thieno[3,2-c]pyridinones was developed. A number of thiophene derivatives was prepared, and the possibility of using thiophene desamino derivatives for the design of potentially biologically active molecules was demonstrated.

  DOI：

  10.1007/s10593-015-1647-z
• 作为产物：
  描述：

  4,5,6,7-四氢苯并[b]噻吩-3-羧酸 在 草酰氯 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 N-(2,2-dimethoxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
  参考文献：
  名称：

  Ethyl 2-Aminothiophene-3-Carboxylates in the Synthesis of Isomeric Thienopyridines

  摘要：

  A convenient method for the synthesis of thieno[3,2-c]pyridinones was developed. A number of thiophene derivatives was prepared, and the possibility of using thiophene desamino derivatives for the design of potentially biologically active molecules was demonstrated.

  DOI：

  10.1007/s10593-015-1647-z

文献信息

• Ethyl 2-Aminothiophene-3-Carboxylates in the Synthesis of Isomeric Thienopyridines
  作者：N. T. Pokhodylo、O. Ya. Shyyka、N. D. Obushak

  DOI：10.1007/s10593-015-1647-z

  日期：2015.3

  A convenient method for the synthesis of thieno[3,2-c]pyridinones was developed. A number of thiophene derivatives was prepared, and the possibility of using thiophene desamino derivatives for the design of potentially biologically active molecules was demonstrated.