ethyl1-cyano-4-oxo-2,6-diphenylcyclohexanecarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl1-cyano-4-oxo-2,6-diphenylcyclohexanecarboxylate
• 英文别名: Ethyl 1-cyano-4-oxo-2,6-diphenylcyclohexanecarboxylate；ethyl 1-cyano-4-oxo-2,6-diphenylcyclohexane-1-carboxylate
• 化学式: C₂₂H₂₁NO₃
• 分子量: 347.414
• InChiKey: QRYPXLQVHZQIEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  67.16
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  氰乙酸乙酯 、 二苄叉丙酮 在 三丁基膦 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到ethyl1-cyano-4-oxo-2,6-diphenylcyclohexanecarboxylate
  参考文献：
  名称：

  A simple and highly efficient procedure for construction of quaternary carbons centers by tributylphosphine catalyzed bis-Michael addition

  摘要：

  The tributylphosphine-catalyzed bis-Michael addition reaction of various kinds of a,13-unsaturated carbonyl compounds with active methylenes is described. This is a convenient and rapid method for generating quaternary carbons centers and useful procedure for the synthesis of branched core and highly substituted trans cyclohexanones. All the reactions were completed in 60 min and afford the corresponding products in excellent yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.11.103

文献信息

• Asymmetric Organocatalytic Double-Conjugate Addition of Malononitrile to Dienones: Efficient Synthesis of Optically Active Cyclohexanones
  作者：Xue-ming Li、Bo Wang、Jun-min Zhang、Ming Yan

  DOI：10.1021/ol102570b

  日期：2011.2.4

  9-Amino-9-deoxyepiquinine efficiently catalyzed the double-conjugate addition of malononitrile to dienones. A number of 1,1,2,6-tetrasubstituted cyclohexanones were prepared in good yields, diastereoselectivities, and excellent enantioselectivities.
• A simple and highly efficient procedure for construction of quaternary carbons centers by tributylphosphine catalyzed bis-Michael addition
  作者：Da-Zhen Xu、Ming-Zhe Zhan、You Huang

  DOI：10.1016/j.tet.2013.11.103

  日期：2014.1

  The tributylphosphine-catalyzed bis-Michael addition reaction of various kinds of a,13-unsaturated carbonyl compounds with active methylenes is described. This is a convenient and rapid method for generating quaternary carbons centers and useful procedure for the synthesis of branched core and highly substituted trans cyclohexanones. All the reactions were completed in 60 min and afford the corresponding products in excellent yields. (C) 2013 Elsevier Ltd. All rights reserved.