3-cyanohexane-1,6-dioic acid diethyl ester | 136547-12-1

• 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: 3-cyanohexane-1,6-dioic acid diethyl ester
• 英文别名: diethyl 3-cyanohexanedioate
• CAS: 136547-12-1
• 化学式: C₁₁H₁₇NO₄
• 分子量: 227.26
• InChiKey: MEFIPITWTVBLDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Cyano-3-ethoxycarbonyl-hexanedioic acid diethyl ester 在 potassium chloride 、 苄基三乙基氯化铵 作用下， 以 二甲基亚砜 为溶剂， 反应 1.5h， 以92%的产率得到3-cyanohexane-1,6-dioic acid diethyl ester
  参考文献：
  名称：

  Synthesis of polyfunctional aliphatic carbonyl compounds under phase-transfer conditions

  摘要：

  We have studied mono- and dialkylation of malonic, acetoacetic, and cyanoacetic esters with esters of haloacetic and beta-halopropionic acids and addition of the CH acids mentioned and their analogs to methyl and ethyl acrylate under phase-transfer catalysis conditions, and also deethoxycarbonylation of the obtained products. We have demonstrated for the first time the possibility of Dieckmann cyclization under phase-transfer catalysis conditions and have developed a simple method for the synthesis of 2,3-di(ethoxycarbonyl)cyclopentanone, a key intermediate in the syntheis of deoxyprostaglandins, by cyclization of triethyl 1,2,4-butanetricarboxylate.

  DOI：

  10.1007/bf00961357

文献信息

• SIZOV, A. YU.;DOMBROVSKIJ, V. A.;YANOVSKAYA, L. A., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1073-1079
  作者：SIZOV, A. YU.、DOMBROVSKIJ, V. A.、YANOVSKAYA, L. A.

  DOI：——

  日期：——