1,3-dimethylbenzo[b]thieno[3,4-d]thiophene | 1429655-47-9

• 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: 1,3-dimethylbenzo[b]thieno[3,4-d]thiophene
• 英文别名: 1,3-Dimethylthieno[3,4-b][1]benzothiole；1,3-dimethylthieno[3,4-b][1]benzothiole
• CAS: 1429655-47-9
• 化学式: C₁₂H₁₀S₂
• 分子量: 218.343
• InChiKey: GZYPKEHOBBQMAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-己炔-2,5-二酮 在 劳森试剂 、 氧气 、 manganese(II) acetate 、 苯甲酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 1,3-dimethylbenzo[b]thieno[3,4-d]thiophene
  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.