(E)-methyl 2-styrylbenzo[b]thiophene-3-carboxylate | 1429655-43-5

• 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)-methyl 2-styrylbenzo[b]thiophene-3-carboxylate
• 英文别名: methyl 2-[(E)-2-phenylethenyl]-1-benzothiophene-3-carboxylate
• CAS: 1429655-43-5
• 化学式: C₁₈H₁₄O₂S
• 分子量: 294.374
• InChiKey: ZBCVMVJQQWMTMF-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  dimethyl benzo[b]thiophene-2,3-dicarboxylate 在 palladium(II) trifluoroacetate 、 silver(I) carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.42h， 生成 (E)-methyl 2-styrylbenzo[b]thiophene-3-carboxylate
  参考文献：
  名称：

  Direct Benzothiophene Formation via Oxygen-Triggered Intermolecular Cyclization of Thiophenols and Alkynes Assisted by Manganese/PhCOOH

  摘要：

  An intermolecular oxidative cyclization between thiophenols and alkynes for benzothiophene formation has been established. A variety of multifunctional benzothiophenes are synthesized. In addition, we demonstrated that the obtained benzothiophenes can be used for further transformation to give diverse benzothiophene derivatives efficiently and selectively.

  DOI：

  10.1021/ol400719d

文献信息

• Direct Benzothiophene Formation via Oxygen-Triggered Intermolecular Cyclization of Thiophenols and Alkynes Assisted by Manganese/PhCOOH
  作者：Kaisheng Liu、Fan Jia、Hui Xi、Yuanming Li、Xiaojian Zheng、Qiaoxia Guo、Baojian Shen、Zhiping Li

  DOI：10.1021/ol400719d

  日期：2013.4.19

  An intermolecular oxidative cyclization between thiophenols and alkynes for benzothiophene formation has been established. A variety of multifunctional benzothiophenes are synthesized. In addition, we demonstrated that the obtained benzothiophenes can be used for further transformation to give diverse benzothiophene derivatives efficiently and selectively.