(E)-butyl 3-(2-(2,2,2-trifluoro-1-(phenylamino)ethyl)benzo[b]thiophen-3-yl)acrylate | 1373127-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (E)-butyl 3-(2-(2,2,2-trifluoro-1-(phenylamino)ethyl)benzo[b]thiophen-3-yl)acrylate
• 英文别名: butyl (E)-3-[2-(1-anilino-2,2,2-trifluoroethyl)-1-benzothiophen-3-yl]prop-2-enoate
• CAS: 1373127-93-5
• 化学式: C₂₃H₂₂F₃NO₂S
• 分子量: 433.494
• InChiKey: IBVXHJGDEHGFKV-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-乙炔基-2-(甲硫基)苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二(氰基苯)二氯化钯 、 sodium cyanoborohydride 、 三乙胺 、 对苯醌 、 lithium chloride 作用下， 以 四氢呋喃 、 甲醇 、 溶剂黄146 为溶剂， 反应 6.25h， 生成 (E)-butyl 3-(2-(2,2,2-trifluoro-1-(phenylamino)ethyl)benzo[b]thiophen-3-yl)acrylate
  参考文献：
  名称：

  Heck-type coupling of intramolecularly-generated thiopalladacycles with alkenes: One pot syntheses of 3-alkenylbenzo[b]thiophenes

  摘要：

  A method for stoichiometric functionalization of benzothiophene is developed by Heck-type coupling of alkenes with intramolecularly-generated thiopalladacycles obtained from palladium salts and ortho-thioanisole-substituted propargyl imines. The synthetic strategy for preparing structurally diverse 3-alkenylbenzo[b]thiophene is also extended to 3-alkenylbenzo[b]selenophenes. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.02.009

文献信息

• Heck-type coupling of intramolecularly-generated thiopalladacycles with alkenes: One pot syntheses of 3-alkenylbenzo[b]thiophenes
  作者：Manjusha V. Karkhelikar、Shailesh S. Racharlawar、Subhas M. Salian、B. Sridhar、Pravin R. Likhar

  DOI：10.1016/j.jorganchem.2012.02.009

  日期：2012.6

  A method for stoichiometric functionalization of benzothiophene is developed by Heck-type coupling of alkenes with intramolecularly-generated thiopalladacycles obtained from palladium salts and ortho-thioanisole-substituted propargyl imines. The synthetic strategy for preparing structurally diverse 3-alkenylbenzo[b]thiophene is also extended to 3-alkenylbenzo[b]selenophenes. (C) 2012 Elsevier B. V. All rights reserved.