Ethyl 6-chloro-1-(4-methoxyphenyl)indole-2-carboxylate | 1426681-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Ethyl 6-chloro-1-(4-methoxyphenyl)indole-2-carboxylate
• 英文别名: ethyl 6-chloro-1-(4-methoxyphenyl)indole-2-carboxylate
• CAS: 1426681-36-8
• 化学式: C₁₈H₁₆ClNO₃
• 分子量: 329.783
• InChiKey: YPSYLIAZELUVGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  40.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 6-chloro-1-(4-methoxyphenyl)indole-2-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 6-Chloro-2-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)indole
  参考文献：
  名称：

  Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives

  摘要：

  A series of novel indole-imidazole derivatives have been prepared and evaluated in vitro on the aromatase inhibitory activities. The results suggested that proton or a small electron-withdrawing group at para-position of the phenyl ring would enhance the inhibitory activities and any bulky group should be avoided in order to keep a relative small volume for this kind of molecules. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.045
• 作为产物：
  描述：

  ethyl (Z)-2-azido-3-(4-chlorophenyl)acrylate 在 dirhodium tetraacetate 、 potassium phosphate 、 copper(l) iodide 、 N,N'-二甲基乙二胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 Ethyl 6-chloro-1-(4-methoxyphenyl)indole-2-carboxylate
  参考文献：
  名称：

  Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives

  摘要：

  A series of novel indole-imidazole derivatives have been prepared and evaluated in vitro on the aromatase inhibitory activities. The results suggested that proton or a small electron-withdrawing group at para-position of the phenyl ring would enhance the inhibitory activities and any bulky group should be avoided in order to keep a relative small volume for this kind of molecules. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.045