ethyl 4,7-bis(4-acetylphenyl)-2,3-dihydro-1H-indene-5-carboxylate | 1309086-62-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: ethyl 4,7-bis(4-acetylphenyl)-2,3-dihydro-1H-indene-5-carboxylate
• CAS: 1309086-62-1
• 化学式: C₂₈H₂₆O₄
• 分子量: 426.512
• InChiKey: OSNGBLMATRENCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,1'-(hepta-1,6-diyne-1,7-diylbis(4,1-phenylene))bis(ethan-1-one) 、 丙烯酸乙酯 在 copper(II) choride dihydrate 、 氧气 、 palladium dichloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 90.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以81%的产率得到ethyl 4,7-bis(4-acetylphenyl)-2,3-dihydro-1H-indene-5-carboxylate
  参考文献：
  名称：

  An aerobic [2 + 2 + 2] Cyclization via Chloropalladation: From 1,6-Diynes and Acrylates to Substituted Aromatic Carbocycles

  摘要：

  A Pd-catalyzed aerobic [2 + 2 +2] cyclization of 1,6-diynes and acrylates proceeding through a chloropalladation process has been developed. Polysubstituted five-membered aromatic carbocycles/heterocycles were obtained in good to excellent yields. The results of the mechanistic study are consistent with the proposed reaction mechanism.

  DOI：

  10.1021/jo200572n

文献信息

• An aerobic [2 + 2 + 2] Cyclization via Chloropalladation: From 1,6-Diynes and Acrylates to Substituted Aromatic Carbocycles
  作者：Peng Zhou、Meifang Zheng、Huanfeng Jiang、Xianwei Li、Chaorong Qi

  DOI：10.1021/jo200572n

  日期：2011.6.3

  A Pd-catalyzed aerobic [2 + 2 +2] cyclization of 1,6-diynes and acrylates proceeding through a chloropalladation process has been developed. Polysubstituted five-membered aromatic carbocycles/heterocycles were obtained in good to excellent yields. The results of the mechanistic study are consistent with the proposed reaction mechanism.