cyclohepta-1-thiaspiro[4.4]nonatriene | 318276-58-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: cyclohepta-1-thiaspiro[4.4]nonatriene
• CAS: 318276-58-3
• 化学式: C₂₁H₂₆S
• 分子量: 310.503
• InChiKey: SCHWBFUBQFUXBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.37
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  cyclohepta-1-thiaspiro[4.4]nonatriene 以 甲苯 为溶剂， 反应 1.0h， 以44%的产率得到4,6-Ditert-butyl-2-thiatricyclo[7.5.0.03,7]tetradeca-1(9),3,5,7,10,12-hexaene
  参考文献：
  名称：

  Synthesis and reactions of pentafulvenyl-tropones and tropothiones

  摘要：

  2-(1',3'-Di-tert-butyl-pentafulven-6'-yl)-tropone (7) was synthesized by reaction of 6-lithio-1,3-di-tert-butyl-pentafulvene (5) with 2-chlorotropone (6). At elevated temperatures 7 cyclizes to a mixture of the tautomeric azulene derivatives 8 and 9. With P2S5 7 is transformed into the spiroadduct 12, presumably via the pentafulvenyl-tropothione 11, which could not be isolated. Compound 12 reacts by a thermally induced rearrangement to the stable cyclohepta-thialene derivative 14. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01473-8
• 作为产物：
  描述：

  2-氯-2,4,6-环庚三烯-1-酮 在 tetraphosphorus decasulfide 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 0.5h， 生成 cyclohepta-1-thiaspiro[4.4]nonatriene
  参考文献：
  名称：

  Synthesis and reactions of pentafulvenyl-tropones and tropothiones

  摘要：

  2-(1',3'-Di-tert-butyl-pentafulven-6'-yl)-tropone (7) was synthesized by reaction of 6-lithio-1,3-di-tert-butyl-pentafulvene (5) with 2-chlorotropone (6). At elevated temperatures 7 cyclizes to a mixture of the tautomeric azulene derivatives 8 and 9. With P2S5 7 is transformed into the spiroadduct 12, presumably via the pentafulvenyl-tropothione 11, which could not be isolated. Compound 12 reacts by a thermally induced rearrangement to the stable cyclohepta-thialene derivative 14. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01473-8