3-醛基吲哚-7-甲酸乙酯 | 927181-98-4

• 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
• 中文名称: 3-醛基吲哚-7-甲酸乙酯
• 英文名称: ethyl 3-formyl-1H-indole-7-carboxylate
• CAS: 927181-98-4
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.22
• InChiKey: XUTDEDCNVFAAEQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.293

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

文献信息

• Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof
  申请人：——

  公开号：US20040063723A1

  公开（公告）日：2004-04-01

  The present invention relates to a process for the preparation of(3-cyano-1H-indol-7-yl)[4-(4-fluorophenethyl)piperazin-1-yl]-methanone and salts thereof, characterised in that an indole ester of the formula II in which R is as defined in Claim 1, is converter into 3-cyano-1H-indole-7-carboxylic acid via steps (1) to (4) according to Claim 1, and this is reacted with 1-[2-(4-fluorophenyl)ethyl]piperazine of salts thereof to give the product.

  本发明涉及一种制备(3-氰基-1H-吲哚-7-基)[4-(4-氟苯乙基)哌嗪-1-基]甲酮及其盐的方法，其特征在于，将式II中R如权利要求1所定义的吲哚酯通过步骤（1）至（4）转化为3-氰基-1H-吲哚-7-羧酸，然后与1-[2-(4-氟苯基)乙基]哌嗪或其盐反应，得到所述产物。
• [EN] PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF<br/>[FR] PROCEDE DE PREPARATION DE (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE ET DE SELS DE CE COMPOSE
  申请人：MERCK PATENT GMBH

  公开号：WO2002059092A1

  公开（公告）日：2002-08-01

  The present invention relates to a process for the preparation of (3-cyano-1H-indol-7-yl)[4-(4-fluorophenethyl)piperazin-1-yl]-methanone and salts thereof, characterised in that an indole ester of the formula II in which R is as defined in Claim 1, is converter into 3-cyano-1H-indole-7-carboxylic acid via steps (1) to (4) according to Claim 1, and this is reacted with 1-[2-(4-fluorophenyl)ethyl]piperazine of salts thereof to give the product.

  本发明涉及一种制备（3-氰基-1H-吲哚-7-基）[4-(4-氟苯乙基)哌嗪-1-基]-甲酮及其盐的过程，其特征在于将式II中R如权利要求1所定义的吲哚酯通过权利要求1所述的步骤（1）至（4）转化为3-氰基-1H-吲哚-7-羧酸，然后与1-[2-(4-氟苯基)乙基]哌嗪或其盐反应得到产物。
• PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF
  申请人：MERCK PATENT GmbH

  公开号：EP1353906B1

  公开（公告）日：2004-06-23
• US7312342B2
  申请人：——

  公开号：US7312342B2

  公开（公告）日：2007-12-25