(E)-4-(2-(4-chlorophenyl)-3-cyclohexyl-1-(4-(2-(dimethylamino)ethoxy)-phenyl)prop-1-enyl)phenyl-2,2-dimethylpropanoate | 1403783-39-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-4-(2-(4-chlorophenyl)-3-cyclohexyl-1-(4-(2-(dimethylamino)ethoxy)-phenyl)prop-1-enyl)phenyl-2,2-dimethylpropanoate
• 英文别名: [4-[(E)-2-(4-chlorophenyl)-3-cyclohexyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]prop-1-enyl]phenyl] 2,2-dimethylpropanoate
• CAS: 1403783-39-0
• 化学式: C₃₆H₄₄ClNO₃
• 分子量: 574.203
• InChiKey: ZNRYOQLTOHBVBS-JEIPZWNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-4-(2-(4-chlorophenyl)-3-cyclohexyl-1-(4-(2-(dimethylamino)ethoxy)-phenyl)prop-1-enyl)phenyl-2,2-dimethylpropanoate 在 甲基锂 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.0h， 以56%的产率得到(Z)-4-(2-(4-chlorophenyl)-3-cyclohexyl-1-(4-(2-(dimethylamino)ethoxy)phenyl)-prop-1-enyl)phenol
  参考文献：
  名称：

  Synthesis on novel Tamoxifen derivatives

  摘要：

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.089
• 作为产物：
  描述：

  1-(4-chlorophenyl)-2-cyclohexylethan-1-one 在 四氯化钛 、 potassium carbonate 、 锌 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 10.0h， 生成 (E)-4-(2-(4-chlorophenyl)-3-cyclohexyl-1-(4-(2-(dimethylamino)ethoxy)-phenyl)prop-1-enyl)phenyl-2,2-dimethylpropanoate
  参考文献：
  名称：

  Synthesis on novel Tamoxifen derivatives

  摘要：

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.089

文献信息

• Synthesis on novel Tamoxifen derivatives
  作者：Jullien Rey、Haipeng Hu、James P. Snyder、Anthony G.M. Barrett

  DOI：10.1016/j.tet.2012.08.089

  日期：2012.11

  The design and synthesis of derivatives of 4-hydroxy-Tamoxifen as potential antagonists of the nuclear receptor LRH-1 are described. Stereoselective McMurry coupling was used to generate the desired internal alkene and a novel method for the synthesis of tetrasubstituted cyclopropane analogues was also developed. (C) 2012 Elsevier Ltd. All rights reserved.