trans-1-Methyl-cyclononen-(1) | 876604-97-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: trans-1-Methyl-cyclononen-(1)
• 英文别名: 1-Methyl-trans-cyclononen；(1E)-1-methylcyclononene
• CAS: 876604-97-6
• 化学式: C₁₀H₁₈
• 分子量: 138.253
• InChiKey: ZXMQTPUCEFWQPS-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  Dimethyl-<1-methyl-cyclononyl-(1)>-amin-N-oxyd 生成 trans-1-Methyl-cyclononen-(1)
  参考文献：
  名称：

  Amine Oxides. VIII. Medium-sized Cyclic Olefins from Amine Oxides and Quaternary Ammonium Hydroxides^1,2

  摘要：

  Thermal decompositions of the N-oxides derived from N,N-dimethyl-1-methylcycloalk,lamines II having eight-, nine- and ten-membered rings yield olefin mixtures containing 98.6, 94.0 and 97.5%, respectively, of 1-methylcycloalkenes. Considerable amounts of the trans isomers are formed from the nine- and ten-membered N-oxides. Pyrolyses of the corresponding quaternary hydroxides produce mixtures of methylenecycloalkanes and 1-methylcycloalkenes (predominantly cis), violation of the Hofmann rule being at a maximum in the decomposition of the nine-membered quaternary hydroxide. Importance of relative product stabilities and the operation of non-bonded interactions are discussed as possible explanations for the observed directions of elimination. Thermal decompositions of the N-oxides and quaternary hydroxides of dimethylcycloalkvimethylamines IV containing eight-, nine- and ten-membered rings proceed as expected with formation of the corresponding methylenecycloalkanes.

  DOI：

  10.1021/ja01502a053