3,4,5,6,7-Pentathiatricyclo[8.5.0.02,8]pentadeca-1,8,10,12,14-pentaene | 1451059-75-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3,4,5,6,7-Pentathiatricyclo[8.5.0.02,8]pentadeca-1,8,10,12,14-pentaene
• 英文别名: 3,4,5,6,7-pentathiatricyclo[8.5.0.02,8]pentadeca-1,8,10,12,14-pentaene
• CAS: 1451059-75-8
• 化学式: C₁₀H₆S₅
• 分子量: 286.488
• InChiKey: GWIPQSMBLGXBFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4,5,6,7-Pentathiatricyclo[8.5.0.02,8]pentadeca-1,8,10,12,14-pentaene 、 N,N'-羰基二咪唑 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 以99%的产率得到Azuleno[1,2-d][1,3]dithiol-2-one
  参考文献：
  名称：

  AZULENOPENTATHIEPIN: PREPARATION AND CONVERSION INTO AZULENES WITH SULFUR GROUPS AT THE 1- AND 2-POSITIONS

  摘要：

  Azulenopentathiepin was prepared by the reaction of azulene with elemental sulfur in boiling pyridine. Bis(thiolate) generated from the pentathiepin reacted with electrophiles such as iodomethane, methyl chloroformate, N,N'-carbonyldiimidazole and N,N'-thiocarbonyldiimidazole to afford the corresponding azulene derivatives. Desulfuration of the pentathiepin and the successive reaction with DMAD or a Pd(0) reagent afforded a 1,4-dithiin compound or Pd complexes.

  DOI：

  10.3987/com-12-s(n)80
• 作为产物：
  描述：

  奥苷菊环 在 吡啶 、 cyclo-tetradecasulfur 作用下， 反应 79.0h， 以23 mg的产率得到3,4,5,6,7-Pentathiatricyclo[8.5.0.02,8]pentadeca-1,8,10,12,14-pentaene
  参考文献：
  名称：

  AZULENOPENTATHIEPIN: PREPARATION AND CONVERSION INTO AZULENES WITH SULFUR GROUPS AT THE 1- AND 2-POSITIONS

  摘要：

  Azulenopentathiepin was prepared by the reaction of azulene with elemental sulfur in boiling pyridine. Bis(thiolate) generated from the pentathiepin reacted with electrophiles such as iodomethane, methyl chloroformate, N,N'-carbonyldiimidazole and N,N'-thiocarbonyldiimidazole to afford the corresponding azulene derivatives. Desulfuration of the pentathiepin and the successive reaction with DMAD or a Pd(0) reagent afforded a 1,4-dithiin compound or Pd complexes.

  DOI：

  10.3987/com-12-s(n)80