4,5,7,8,9,10-hexamethylthieno<3,2-a>dibenzothiophene | 174839-75-9

• 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: 4,5,7,8,9,10-hexamethylthieno<3,2-a>dibenzothiophene
• CAS: 174839-75-9
• 化学式: C₂₀H₂₀S₂
• 分子量: 324.511
• InChiKey: RSLMSKLUJUVZJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.12
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,5,7,8,9,10-hexamethylthieno<3,2-a>dibenzothiophene 在 重铬酸吡啶 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 生成 2-acetyl-4,5,6,7,8,9,10-hexamethylthieno<3,2-a>dibenzothiophene
  参考文献：
  名称：

  Thiaheterohelicenes. 2. Synthesis of Alkylated Thiaheterohelicenes.

  摘要：

  The alkylated thiaheterohelicenes 1,2,3,4,6,7,9,10,11,12-decamethyl-5,8-dithia[5]helicene 1 and 6,7,9,10,12,13-hexamethyl-5,8,11,14-tetrathia[9]helicene 2 have been prepared by oxidative photolysis of 1,2-diaryl-substituted ethenes. The symmetrical ethenes used in the procedures were prepared by McMurry coupling. Unsymmetrical tetrasubstituted ethenes were obtained by nucleophilic addition of lithium arylates to 3-arylbutan-2-one and dehydration.

  DOI：

  10.3891/acta.chem.scand.50-0077
• 作为产物：
  描述：

  2-(4,5,6,7-tetramethylbenzothiophen-2-yl)-3-(thien-2-yl)but-2-ene 在 air 、 碘 作用下， 以 甲苯 为溶剂， 以76%的产率得到4,5,7,8,9,10-hexamethylthieno<3,2-a>dibenzothiophene
  参考文献：
  名称：

  Thiaheterohelicenes. 2. Synthesis of Alkylated Thiaheterohelicenes.

  摘要：

  The alkylated thiaheterohelicenes 1,2,3,4,6,7,9,10,11,12-decamethyl-5,8-dithia[5]helicene 1 and 6,7,9,10,12,13-hexamethyl-5,8,11,14-tetrathia[9]helicene 2 have been prepared by oxidative photolysis of 1,2-diaryl-substituted ethenes. The symmetrical ethenes used in the procedures were prepared by McMurry coupling. Unsymmetrical tetrasubstituted ethenes were obtained by nucleophilic addition of lithium arylates to 3-arylbutan-2-one and dehydration.

  DOI：

  10.3891/acta.chem.scand.50-0077