4',5'-Bis-hexylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-carbaldehyde | 1001912-89-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 4',5'-Bis-hexylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-carbaldehyde
• 英文别名: 2-[4,5-Bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4-carbaldehyde
• CAS: 1001912-89-5
• 化学式: C₁₉H₂₈OS₆
• 分子量: 464.827
• InChiKey: CBRVRPBEYBGILE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,5-Bis[[dimethoxy(oxido)phosphaniumyl]methyl]-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene 、 4',5'-Bis-hexylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-carbaldehyde 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 4,5-bis[(E)-2-[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]ethenyl]-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
  参考文献：
  名称：

  Synthesis of non-centrosymmetric donor–acceptor–donor hexaazatriphenylene (HAT) derivatives

  摘要：

  A general synthetic strategy toward unsymmetrical hexaazatriphenylene (HAT) derivatives has been developed. The versatility of the strategy is used to synthesize a family of ambipolar donor-acceptor-donor (D-A-D) chromophores, which exhibit broad intramolecular charge transfer (ICT) bands in their solution UV-vis spectra. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.10.069
• 作为产物：
  描述：

  N-甲基甲酰苯胺 、 4,5-Bis-hexylsulfanyl-[2,2']bi[[1,3]dithiolylidene] 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 4',5'-Bis-hexylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-carbaldehyde
  参考文献：
  名称：

  New planar and soluble tris-tetrathiafulvalene derivatives with threefold-symmetry

  摘要：

  Novel trimeric tetrathiafulvalene (TTF) derivatives with threefold-symmetry are built on the 1,3,5-benzene core. Long alkyl chains have been incorporated on the peripheral positions of the TTF moieties in order to increase the solubility of the final products. Electrochemical and spectroscopic studies of the target compounds suggest that there are no significant interactions between the TTF units because of their meta orientation. Semiempirical theoretical calculations indicate that the new systems exhibit a high structural anisotropy resembling that exhibited by discotic liquid crystals. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00344-0