1,4-di-tert-butyl-5-(7-octenyl)-1,3-cyclohexadiene | 1239513-47-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,4-di-tert-butyl-5-(7-octenyl)-1,3-cyclohexadiene
• 英文别名: 1,4-Ditert-butyl-5-oct-7-enylcyclohexa-1,3-diene
• CAS: 1239513-47-3
• 化学式: C₂₂H₃₈
• 分子量: 302.544
• InChiKey: YWSHPRRKAGNSDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 、 1,9-癸二烯 在 三(三甲基硅基)硅烷 、 五氯化铌 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以90%的产率得到1,4-di-tert-butyl-5-(7-octenyl)-1,3-cyclohexadiene
  参考文献：
  名称：

  Active Low-Valent Niobium Catalysts from NbCl₅ and Hydrosilanes for Selective Intermolecular Cycloadditions

  摘要：

  An active niobium catalyst was developed via a simple and nontoxic reduction method from NbCl5/hydrosilane and utilized for the selective [2 + 2 + 2] cycloaddition reaction of terminal alkynes and alkenes/alpha,omega-dienes, to give 1,3-cyclohexadiene derivatives in high yields with excellent chemo- and regioselectivity.

  DOI：

  10.1021/jo201757w

文献信息

• NbCl₃-Catalyzed Intermolecular [2+2+2] Cycloaddition of Alkynes and α,ω-Dienes: Highly Chemo- and Regioselective Formation of 5-ω-Alkenyl-1,4-substituted-1,3-cyclohexadiene Derivatives
  作者：Yasushi Obora、Yasushi Satoh、Yasutaka Ishii

  DOI：10.1021/jo101229u

  日期：2010.9.3

  Intermolecular [2+2+2] cycloaddition of tert-butylacetylene with alpha,omega-dienes was successfully achieved by NbCl3(DME) catalyst to afford 5-omega-alkenyl-1,4-disubstituted-1,3-cyclohexadienes in excellent yields with high chemo- and regioselectivity.
• Active Low-Valent Niobium Catalysts from NbCl₅ and Hydrosilanes for Selective Intermolecular Cycloadditions
  作者：Yasushi Satoh、Yasushi Obora

  DOI：10.1021/jo201757w

  日期：2011.10.21

  An active niobium catalyst was developed via a simple and nontoxic reduction method from NbCl5/hydrosilane and utilized for the selective [2 + 2 + 2] cycloaddition reaction of terminal alkynes and alkenes/alpha,omega-dienes, to give 1,3-cyclohexadiene derivatives in high yields with excellent chemo- and regioselectivity.