1-Allyl-4-oxo-cyclohexanecarboxylic acid methyl ester | 156631-02-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-Allyl-4-oxo-cyclohexanecarboxylic acid methyl ester
• 英文别名: Methyl 1-allyl-4-oxocyclohexanecarboxylate；methyl 4-oxo-1-prop-2-enylcyclohexane-1-carboxylate
• CAS: 156631-02-6
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: AMTGLIPXUVEJTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Allyl-4-oxo-cyclohexanecarboxylic acid methyl ester 在 二甲基硫 、 臭氧 作用下， 生成 1-((E)-3-Methoxycarbonyl-allyl)-4-oxo-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  A new asymmetric bridging annulation reaction involving the intramolecular michael addition of chiral imines to enoates

  摘要：

  Thermal cyclization of imine 12b led,after hydrolytic work-up, to bicyclic derivative 13b with a very high control of the three newly created stereogenic centers. In contrast adducts 13a and 13c, resulting from the cyclization of imines 12a and 12c respectively, were obtained as complex mixtures of stereomers.

  DOI：

  10.1016/s0957-4166(00)86201-1
• 作为产物：
  描述：

  methyl 4-trimethylsilyloxy-3-cyclohexenylcarboxylate 在 盐酸 、 lithium diisopropyl amide 作用下， 生成 1-Allyl-4-oxo-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  A new asymmetric bridging annulation reaction involving the intramolecular michael addition of chiral imines to enoates

  摘要：

  Thermal cyclization of imine 12b led,after hydrolytic work-up, to bicyclic derivative 13b with a very high control of the three newly created stereogenic centers. In contrast adducts 13a and 13c, resulting from the cyclization of imines 12a and 12c respectively, were obtained as complex mixtures of stereomers.

  DOI：

  10.1016/s0957-4166(00)86201-1

文献信息

• A new asymmetric bridging annulation reaction involving the intramolecular michael addition of chiral imines to enoates
  作者：Françoise Dumas、Véronique Maine、Christian Cave、Jean d'Angelo、Angèle Chiaroni、Claude Riche

  DOI：10.1016/s0957-4166(00)86201-1

  日期：1994.3

  Thermal cyclization of imine 12b led,after hydrolytic work-up, to bicyclic derivative 13b with a very high control of the three newly created stereogenic centers. In contrast adducts 13a and 13c, resulting from the cyclization of imines 12a and 12c respectively, were obtained as complex mixtures of stereomers.