methyl 3-(2-phenylallyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate | 1446421-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 英文名称: methyl 3-(2-phenylallyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
• 英文别名: methyl 3-(2-phenylprop-2-enyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
• CAS: 1446421-64-2
• 化学式: C₂₃H₂₄N₂O₂
• 分子量: 360.456
• InChiKey: ZSMPMGREEYZWAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (1-溴甲基-乙烯基)-苯 、 1-bromo-2-phenyl-1-propene 、 methyl 1,2,3,4,5,6-hexahydroazepino<4,5-b>indole-5-carboxylate 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 以94.5%的产率得到methyl 3-(2-phenylallyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
  参考文献：
  名称：

  NOVEL PHARMACEUTICAL INTERMEDIATES AND METHODS FOR PREPARING THE SAME

  摘要：

  一种药用中间体，包括与可选择地羧化的六氢吲哚基团、可选择地羧化的氮杂环庚烷基团或第二个、可选择地羧化的吲哚基团相关联的第一吲哚基团，其中从同一氮原子悬挂有烷基、烯丙基、苯基丙烯基、肉桂基、烯基和/或烷基-烯基取代基。

  公开号：

  US20130178618A1

文献信息

• Novel Pharmaceutical Intermediates and Methods for Preparing the Same
  申请人：Boulanger William Allen

  公开号：US20140213782A1

  公开（公告）日：2014-07-31

  A pharmaceutical intermediate including a first indole moiety which is associated with an optionally carboxylated hexahydroazepino moiety, an optionally carboxylated azonane moiety, or a second, optionally carboxylated indole moiety, having an alkyl, allyl, phenylallyl, cinnamyl, alkenyl, and/or alkyl-alkenyl substituent pendant from a nitrogen atom of the same.

  一种药用中间体，包括第一吲哚基团，该基团与可选的羧化的六氢-氮杂环基团、可选的羧化的氮杂烷基团或第二个可选的羧化的吲哚基团相关联，并且在同一氮原子上具有烷基、丙烯基、苯基丙烯基、肉桂基、烯基和/或烷基-烯基取代基。
• Pharmaceutical intermediates and methods for preparing the same
  申请人：Boulanger William Allen

  公开号：US10906912B2

  公开（公告）日：2021-02-02

  A pharmaceutical intermediate including a first indole moiety which is associated with an optionally carboxylated hexahydroazepino moiety, an optionally carboxylated azonane moiety, or a second, optionally carboxylated indole moiety, having an alkyl, allyl, phenylallyl, cinnamyl, alkenyl, and/or alkyl-alkenyl substituent pendant from a nitrogen atom of the same.

  一种药物中间体，包括第一吲哚分子，该分子与任选羧化的六氢氮杂卓分子、任选羧化的氮杂环烷分子或任选羧化的第二吲哚分子相连，该分子的氮原子上悬挂有烷基、烯丙基、苯基、肉桂基、烯基和/或烷基-烯基取代基。
• Pharmaceutical Intermediates and Methods for Preparing the Same
  申请人：Boulanger William Allen

  公开号：US20210115056A1

  公开（公告）日：2021-04-22

  A pharmaceutical intermediate including a first indole moiety which is associated with an optionally carboxylated hexahydroazepino moiety, an optionally carboxylated azonane moiety, or a second, optionally carboxylated indole moiety, having an alkyl, allyl, phenylallyl, cinnamyl, alkenyl, and/or alkyl-alkenyl substituent pendant from a nitrogen atom of the same.
• US9399643B2
  申请人：——

  公开号：US9399643B2

  公开（公告）日：2016-07-26
• US9399642B2
  申请人：——

  公开号：US9399642B2

  公开（公告）日：2016-07-26