1,3-dimethyl-3-(1,3-dimethyl-2-cyclohexen-1-yl)cyclohex-1-ene | 71087-58-6

• 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: 1,3-dimethyl-3-(1,3-dimethyl-2-cyclohexen-1-yl)cyclohex-1-ene
• 英文别名: 3-(1,3-Dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
• CAS: 71087-58-6
• 化学式: C₁₆H₂₆
• 分子量: 218.382
• InChiKey: ULDDEHITYZDIPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  以 苯 为溶剂， 生成 1,3-dimethyl-3-(1,3-dimethyl-2-cyclohexen-1-yl)cyclohex-1-ene
  参考文献：
  名称：

  Corbally,R.P. et al., Journal of the Chemical Society. Perkin transactions I, 1979, p. 793 - 798

  摘要：

  DOI：

文献信息

• A Novel C−C Single Bond Formation by Use of Ketones, Alkylmagnesium Bromide, and Low-Valent Vanadium in the Presence of a Catalytic Amount of Molecular Oxygen
  作者：Yasutaka Kataoka、Hiroaki Akiyama、Isamu Makihira、Kazuhide Tani

  DOI：10.1021/jo9610725

  日期：1996.1.1
• A Novel C−C Single-Bond Formation Accompanying C−O Bond Cleavage by Use of a Ketone, an Alkylating Reagent, and a Low-Valent Vanadium Complex in the Presence of a Catalytic Amount of Molecular Oxygen
  作者：Yasutaka Kataoka、Hiroaki Akiyama、Isamu Makihira、Kazuhide Tani

  DOI：10.1021/jo971164+

  日期：1997.11.1

  A C-C single-bond-forming reaction from ketones with accompanying C-O bond cleavage mediated by a RMgBr or RLi-vanadium(II)-O-2 system has been accomplished. Different from conventional reductive coupling reactions of ketones such as the McMurry coupling, the present method forms a C-C single (instead of a double) bond and yields a product that contains components derived from the ketone and the alkylating reagent in a one-pot reaction. Collaboration of both a low-valent vanadium(II) species and a higher-valent vanadium species produced from vanadium(II) and a catalytic amount of O-2 effects the abstraction of the oxygen atom from a C-O bond.