1-(4-cyanophenylmethyl)-4-(1-methoxy-1-methylethyl)-1-methylenecyclohexene | 122723-01-7

• 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-cyanophenylmethyl)-4-(1-methoxy-1-methylethyl)-1-methylenecyclohexene
• 英文别名: 4-[[(4S)-4-(2-methoxypropan-2-yl)cyclohexen-1-yl]methyl]benzonitrile
• CAS: 122723-01-7
• 化学式: C₁₈H₂₃NO
• 分子量: 269.387
• InChiKey: QDDZDYOQFWTYGR-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对苯二腈 、 甲醇 、 beta-pinene 在 联苯 作用下， 以 乙腈 为溶剂， 以9%的产率得到1-(4-cyanophenylmethyl)-4-(1-methoxy-1-methylethyl)-1-methylenecyclohexene
  参考文献：
  名称：

  The photochemical nucleophile-olefin combination, aromatic substitution reaction: methanol-.alpha.- and .beta.-pinene, 1,4-dicyanobenzene. The photo-NOCAS reaction. Part 3

  摘要：

  DOI：

  10.1021/ja00201a085

文献信息

• Medium- and Sensitizer-Dependent Radical Cation Reactions: Deprotonation in Fluid Solution and Solid Matrices.
  作者：Heinz D. Roth、Hengxin Weng、Dahui Zhou、Prasad S. Lakkaraju、Antonio Sousa、Alexander D. Garnovskii、D. A. Garnovskii、Björn O. Roos、Claire Vallance、Bryan R. Wood

  DOI：10.3891/acta.chem.scand.51-0626

  日期：——

  Radical cations generated by photo-induced electron transfer in solution or by chemical oxidation in the channels of a redox-active zeolite (NaZSM-5) may be di protonated, giving rise to neutral radicals. In solution, the germinate radical anion or an added nucleophile (methanol) may serve as the proton acceptor. Deprotonations in solution are not efficient: the corresponding products may be suppressed by several competing intra- or bi-molecular reactions. Although methanol serves as the base deprotonating at least one radical cation, it often is mort efficient as a nucleophile. thereby depressing deprotonation. Deprotonations in the zeolite are more effective, presumably, because competing reactions with outside reagents are precluded. Occasionally, NaZSM-5 zeolites promote complex reaction sequences, such as the conversion of p-propylanisole to the radical cation of anethole or the deprotonation-ring opening of 1,2-diphenylcyclopropane radical cation to exo,exo-diphenylallyl radical.
• ARNOLD, DONALD R.;DU, XINYAO, J. AMER. CHEM. SOC., 111,(1989) N9, C. 7666-7667
  作者：ARNOLD, DONALD R.、DU, XINYAO

  DOI：——

  日期：——