13,14-Diphenyl-8,10,12-trithiatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene | 1308298-57-8

• 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: 13,14-Diphenyl-8,10,12-trithiatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
• CAS: 1308298-57-8
• 化学式: C₂₄H₁₄S₃
• 分子量: 398.573
• InChiKey: YHSLDBIMDNRPOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  S-(3-benzoyl-[1]benzothieno[2,3-b]thiophen-2-yl) benzothioate 在 四氯化钛 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.5h， 以63%的产率得到13,14-Diphenyl-8,10,12-trithiatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),13-hexaene
  参考文献：
  名称：

  Synthesis of benzothieno[2,3-b]thiophenes, [2,3-b:3′,2′-d]-dithienothiophenes and their selenium derivatives via electrophilic cyclization and McMurry cyclization

  摘要：

  Benzothieno[2,3-b]thiophenes, [2,3-b:3',2'-d]-dithienothiophenes, and their selenium derivatives were synthesized in good yields from readily available 3-ethynyllithio-benzo[b]thiophenyllithio compounds, sulfur or selenium, and 2 equiv of acid chlorides. Two heteroarene rings were constructed by a twofold cyclization via an acid chloride-induced electrophilic ring closing and the McMurry cyclization using Zn/TiCl4 reagents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.088

文献信息

• Synthesis of benzothieno[2,3-b]thiophenes, [2,3-b:3′,2′-d]-dithienothiophenes and their selenium derivatives via electrophilic cyclization and McMurry cyclization
  作者：Weizhi Geng、Hanliu Wang、Zitao Wang、Shaoguang Zhang、Wen-Xiong Zhang、Zhenfeng Xi

  DOI：10.1016/j.tet.2012.01.088

  日期：2012.7

  Benzothieno[2,3-b]thiophenes, [2,3-b:3',2'-d]-dithienothiophenes, and their selenium derivatives were synthesized in good yields from readily available 3-ethynyllithio-benzo[b]thiophenyllithio compounds, sulfur or selenium, and 2 equiv of acid chlorides. Two heteroarene rings were constructed by a twofold cyclization via an acid chloride-induced electrophilic ring closing and the McMurry cyclization using Zn/TiCl4 reagents. (C) 2012 Elsevier Ltd. All rights reserved.