Methyl 5-formyl-2-propylthiophene-3-carboxylate | 1616962-58-3

• 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: Methyl 5-formyl-2-propylthiophene-3-carboxylate
• 英文别名: methyl 5-formyl-2-propylthiophene-3-carboxylate
• CAS: 1616962-58-3
• 化学式: C₁₀H₁₂O₃S
• 分子量: 212.269
• InChiKey: DPZPGJLCVKUJGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲醇 、 S-[1-[5-(dibromomethylidene)-2-oxofuran-3-yl]butyl] ethanethioate 在 盐酸 作用下， 反应 18.0h， 以62%的产率得到Methyl 5-formyl-2-propylthiophene-3-carboxylate
  参考文献：
  名称：

  An unusual synthesis and crystal interaction studies of a highly functionalised thiophene system

  摘要：

  Several novel functionalised thiophenes have been synthesised via an unusual acid catalysed reaction of S-acetyl fimbrolides. The crystal structure analysis of one of the thiophene products reveals interesting intermolecular hydrogen bonding and carbonyl-carbonyl (C=O center dot center dot center dot C=O) dipolar interactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.05.071

文献信息

• An unusual synthesis and crystal interaction studies of a highly functionalised thiophene system
  作者：Samuel K. Kutty、Mohan M. Bhadbhade、George Iskander、David StC. Black、Naresh Kumar

  DOI：10.1016/j.tetlet.2014.05.071

  日期：2014.7

  Several novel functionalised thiophenes have been synthesised via an unusual acid catalysed reaction of S-acetyl fimbrolides. The crystal structure analysis of one of the thiophene products reveals interesting intermolecular hydrogen bonding and carbonyl-carbonyl (C=O center dot center dot center dot C=O) dipolar interactions. (C) 2014 Elsevier Ltd. All rights reserved.