3,3'-di(ethoxycarbonylthio)-2,2'-di(benzothienyl)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,3'-di(ethoxycarbonylthio)-2,2'-di(benzothienyl)
• 英文别名: Ethyl [2-(3-ethoxycarbonylsulfanyl-1-benzothiophen-2-yl)-1-benzothiophen-3-yl]sulfanylformate
• 化学式: C₂₂H₁₈O₄S₄
• 分子量: 474.647
• InChiKey: NXNDCIYXPXOUCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  160
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,3'-di(ethoxycarbonylthio)-2,2'-di(benzothienyl) 在 氢氧化钾 、 air 作用下， 生成 Bis(benzo<4,5>thieno)<3,2-c:2',3'-e><1,2>dithiin
  参考文献：
  名称：

  Schroth, Werner; Hintzsche, Ekkehard; Felicetti, Michael, Angewandte Chemie, 1994, vol. 106, # 7, p. 808 - 810

  摘要：

  DOI：
• 作为产物：
  描述：

  ethoxycarbonylsulfenyl chloride 、 2,2'-bibenzo[b]thiophene 在 四氯化钛 作用下， 以 氯仿 为溶剂， 以87%的产率得到3,3'-di(ethoxycarbonylthio)-2,2'-di(benzothienyl)
  参考文献：
  名称：

  1,2-Dithiins and precursors, XVII: Synthesis and properties of thieno anellated 1,2-dithiins, structural influence on colour

  摘要：

  Various thieno[3,2-c] anellated (59, 26) and dithieno[3,2-c:2,3-e] anellated I,2-dithiins (32 a-c, 45) were obtained starting from appropriate thiophene precursors. The absorption maxima covered the range from 430 to 467 nm indicating olefinic rather than aromatic character of the anellating thiophene units. Access to the isomeric thieno[2,3-c] anellated series failed due to competing reactions in the final stage, e.g. by the formation of the 12-membered cyclic bis-disulfide 53. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00439-0

文献信息

• Schroth, Werner; Hintzsche, Ekkehard; Felicetti, Michael, Angewandte Chemie, 1994, vol. 106, # 7, p. 808 - 810
  作者：Schroth, Werner、Hintzsche, Ekkehard、Felicetti, Michael、Spitzner, Roland、Sieler, Joachim、Kempe, Rhett

  DOI：——

  日期：——
• 1,2-Dithiins and precursors, XVII: Synthesis and properties of thieno anellated 1,2-dithiins, structural influence on colour
  作者：Werner Schroth、Ekkehard Hintzsche、Hartwig Jordan、Thomas Jende、Roland Spitzner、Iris Thondorf

  DOI：10.1016/s0040-4020(97)00439-0

  日期：1997.6

  Various thieno[3,2-c] anellated (59, 26) and dithieno[3,2-c:2,3-e] anellated I,2-dithiins (32 a-c, 45) were obtained starting from appropriate thiophene precursors. The absorption maxima covered the range from 430 to 467 nm indicating olefinic rather than aromatic character of the anellating thiophene units. Access to the isomeric thieno[2,3-c] anellated series failed due to competing reactions in the final stage, e.g. by the formation of the 12-membered cyclic bis-disulfide 53. (C) 1997 Elsevier Science Ltd.