| 212072-23-6

• 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
• CAS: 212072-23-6
• 化学式: C₂₈H₃₂Cl₂N₂O₄Si
• 分子量: 559.565
• InChiKey: FSEKYZXQYNEBIK-XDJHFCHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.77
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 lithium hydroxide 作用下， 以 乙醇 为溶剂， 反应 11.5h， 生成 4,6-dichloro-3-(2-oxo-1-phenyl-piperidin-3-ylidenemethyl)-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Unusual synthesis of new glycine antagonists via sequential aldol condensation-lactonization-elimination reaction

  摘要：

  Compounds 2 and 3 were designed in older to probe the North-East region of the strichnine-insensitive glycine binding site of the NMDA receptor. The two products were obtained readily by a tandem aldol condensation-lactonization-elimination step which affords the desired E isomer with complete regioselection. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00284-4
• 作为产物：
  描述：

  N-苯基-2-哌啶酮 在 叔丁基锂 、 三甲基硅烷化重氮甲烷 作用下， 以 二氯甲烷 为溶剂， 反应 3.67h， 生成
  参考文献：
  名称：

  Unusual synthesis of new glycine antagonists via sequential aldol condensation-lactonization-elimination reaction

  摘要：

  Compounds 2 and 3 were designed in older to probe the North-East region of the strichnine-insensitive glycine binding site of the NMDA receptor. The two products were obtained readily by a tandem aldol condensation-lactonization-elimination step which affords the desired E isomer with complete regioselection. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00284-4