dimethyl 2-(cyclohexylmethylene)-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate | 1312150-38-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: dimethyl 2-(cyclohexylmethylene)-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
• CAS: 1312150-38-1
• 化学式: C₂₈H₂₈O₄
• 分子量: 428.528
• InChiKey: KXQOSFNDHDGHRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dimethyl 2-(cyclohexylmethylene)-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate 在 环己胺 作用下， 以 四氢呋喃 、 氘代氯仿 为溶剂， 反应 20.0h， 生成 dimethyl 2-benzylidene-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
  参考文献：
  名称：

  Demonstration of the facile reversibility of fulvene formation

  摘要：

  Cleavage of fulvenes under mild conditions and interchange between electron-deficient fulvenes and their constituent cyclopentadienes and imines is demonstrated for the first time. A series of cyclopentadienes and imines are investigated to probe the dependence of fulvene equilibration on structure. The exchange of one fulvene for another is demonstrated in the first reported example of transfulvenation. Finally, the metathesis of two fulvenes to generate all four possible cross products is shown. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.094
• 作为产物：
  描述：

  dimethyl 4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate 、 N-phenyl-1-(cyclohexyl)methanimine 以 氘代氯仿 为溶剂， 反应 0.17h， 生成 dimethyl 2-(cyclohexylmethylene)-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
  参考文献：
  名称：

  Demonstration of the facile reversibility of fulvene formation

  摘要：

  Cleavage of fulvenes under mild conditions and interchange between electron-deficient fulvenes and their constituent cyclopentadienes and imines is demonstrated for the first time. A series of cyclopentadienes and imines are investigated to probe the dependence of fulvene equilibration on structure. The exchange of one fulvene for another is demonstrated in the first reported example of transfulvenation. Finally, the metathesis of two fulvenes to generate all four possible cross products is shown. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.094