4-[[3,5-Bis[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2-(1,3-dithiol-2-ylidene)-1,3-dithiole | 142701-19-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[3,5-Bis[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2-(1,3-dithiol-2-ylidene)-1,3-dithiole
• CAS: 142701-19-7
• 化学式: C₂₇H₁₈S₁₅
• 分子量: 823.43
• InChiKey: VTBMLHSPAJZNET-UHFFFAOYSA-N

物化性质

• 沸点：
  767.0±60.0 °C(Predicted)
• 密度：
  1.77±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  380
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  四硫富瓦烯 、 1,3,5-三(溴甲基)苯 生成 4-[[3,5-Bis[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2-(1,3-dithiol-2-ylidene)-1,3-dithiole
  参考文献：
  名称：

  Bis- and tris(tetrathiafulvalenes) (TTFs) derived from reactions of the TTF-thiolate anion

  摘要：

  A range of new bis- and tris-TTF derivatives has been prepared using the TTF-thiolate anion 2 as a key intermediate. Thiolate anion 2 reacts with 2-bromoethanol to yield alcohol 3 from which the bis- and tris-TTF systems 4-7 have been obtained by reaction with the appropriate acid chloride. Subsequent reactions of the malonate anion of dimeric TTF 7 yield derivatives 8-10, which include the amphiphilic system 8. Thiolate anion 2 reacts with bis- and tris(bromomethyl)benzene to yield bis- and tris-TTF derivatives 11 and 12, respectively. Thioester 13, which serves as a shelf-stable precursor of thiolate anion 2, has been used in the synthesis of bis-TTF systems 17 and 18. The solution electrochemistry of the new multi-TTF derivatives has been studied by cyclic voltammetry, which reveals that the TTF moieties do not interact to any significant extent.

  DOI：

  10.1021/jo00044a020

文献信息

• Bis- and tris(tetrathiafulvalenes) (TTFs) derived from reactions of the TTF-thiolate anion
  作者：Martin R. Bryce、Gary J. Marshallsay、Adrian J. Moore

  DOI：10.1021/jo00044a020

  日期：1992.8

  A range of new bis- and tris-TTF derivatives has been prepared using the TTF-thiolate anion 2 as a key intermediate. Thiolate anion 2 reacts with 2-bromoethanol to yield alcohol 3 from which the bis- and tris-TTF systems 4-7 have been obtained by reaction with the appropriate acid chloride. Subsequent reactions of the malonate anion of dimeric TTF 7 yield derivatives 8-10, which include the amphiphilic system 8. Thiolate anion 2 reacts with bis- and tris(bromomethyl)benzene to yield bis- and tris-TTF derivatives 11 and 12, respectively. Thioester 13, which serves as a shelf-stable precursor of thiolate anion 2, has been used in the synthesis of bis-TTF systems 17 and 18. The solution electrochemistry of the new multi-TTF derivatives has been studied by cyclic voltammetry, which reveals that the TTF moieties do not interact to any significant extent.