Se-(3-(4-hexylbenzoyl)benzo[b]selenopheno[3,2-d]thiophen-2-yl) 4-hexylbenzoselenoate | 1382531-16-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Se-(3-(4-hexylbenzoyl)benzo[b]selenopheno[3,2-d]thiophen-2-yl) 4-hexylbenzoselenoate
• CAS: 1382531-16-9
• 化学式: C₃₆H₃₈O₂SSe₂
• 分子量: 692.683
• InChiKey: BNLJLWQTRBQUJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.76
• 重原子数：
  41.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Se-(3-(4-hexylbenzoyl)benzo[b]selenopheno[3,2-d]thiophen-2-yl) 4-hexylbenzoselenoate 在 四氯化钛 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.5h， 以72%的产率得到13,14-Bis(4-hexylphenyl)-8-thia-10,12-diselenatetracyclo[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
• 作为产物：
  描述：

  4-己基苯甲酰氯 、 3-ethynylbenzo[b]thiophene 在 叔丁基锂 、 selenium 作用下， 以 乙醚 、 正戊烷 、 四氢呋喃 为溶剂， 反应 3.0h， 以65%的产率得到Se-(3-(4-hexylbenzoyl)benzo[b]selenopheno[3,2-d]thiophen-2-yl) 4-hexylbenzoselenoate
  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