(E)-tetraethyl 4-methylene-5-(2-methylpropylidene)cyclohexane-1,1,2,2-tetracarboxylate | 1038917-42-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-tetraethyl 4-methylene-5-(2-methylpropylidene)cyclohexane-1,1,2,2-tetracarboxylate
• 英文别名: tetraethyl (5E)-4-methylidene-5-(2-methylpropylidene)cyclohexane-1,1,2,2-tetracarboxylate
• CAS: 1038917-42-8
• 化学式: C₂₃H₃₄O₈
• 分子量: 438.518
• InChiKey: MQACJASGCNUWAE-SFQUDFHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-allyl-2,3,3-tris-ethoxycarbonyl-7-methyl-oct-5-ynoic acid ethyl ester 在 bis(1,5-cyclooctadiene)nickel (0) 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以99%的产率得到(E)-tetraethyl 4-methylene-5-(2-methylpropylidene)cyclohexane-1,1,2,2-tetracarboxylate
  参考文献：
  名称：

  Nickel-catalyzed cycloisomerization of enynes: catalyst generation via C–H activation of carbene ligands

  摘要：

  The combination of Ni(0) and an N-heterocyclic carbene acts as a precatalyst for the cycloisomerization of enynes to afford 1,3-dienes. During the course of the reaction, a nickel hydride is formed from oxidative addition of the ortho C-H on the carbene ligand. Deuterium labeling studies are presented. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.071

文献信息

• Nickel-catalyzed cycloisomerization of enynes: catalyst generation via C–H activation of carbene ligands
  作者：Thomas N. Tekavec、Janis Louie

  DOI：10.1016/j.tet.2008.03.071

  日期：2008.7

  The combination of Ni(0) and an N-heterocyclic carbene acts as a precatalyst for the cycloisomerization of enynes to afford 1,3-dienes. During the course of the reaction, a nickel hydride is formed from oxidative addition of the ortho C-H on the carbene ligand. Deuterium labeling studies are presented. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.