(5-cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester hydrochloride | 1073614-07-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5-cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester hydrochloride
• 英文别名: (5-Cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester HCl；ethyl 2-(5-cyano-2-nitrophenyl)-2-[5-(morpholin-4-ylmethyl)pyridin-2-yl]acetate;hydrochloride
• CAS: 1073614-07-9
• 化学式: C₂₁H₂₂N₄O₅*ClH
• 分子量: 446.89
• InChiKey: PLYVXTSVVASWAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (5-cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester hydrochloride 在 3%Pt/0.6%V/C 碳酸氢钠 、 氢气 作用下， 以 乙酸丁酯 、 水 为溶剂， 20.0~70.0 ℃ 、400.01 kPa 条件下， 反应 4.0h， 生成 (2-amino-5-cyano-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  WO2008/130312

  摘要：

  公开号：
• 作为产物：
  描述：

  (5-cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester 在 盐酸 作用下， 以 乙醇 、 异丙醇 为溶剂， 反应 10.0h， 生成 (5-cyano-2-nitro-phenyl)-(5-morpholin-4-ylmethyl-pyridin-2-yl)-acetic acid ethyl ester hydrochloride
  参考文献：
  名称：

  WO2008/130312

  摘要：

  公开号：

文献信息

• Process for the manufacturing of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile 701
  申请人：AstraZeneca AB

  公开号：US08101750B2

  公开（公告）日：2012-01-24

  The present invention relates to a new process for the manufacture of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile as a free base and pharmaceutically acceptable salts thereof, particularly the 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile citrate, and to new intermediates prepared in said process suitable for large scale manufacturing of said compound.

  本发明涉及一种制备2-羟基-3-[5-(吗啡啉-4-基甲基)吡啶-2-基]1H-吲哚-5-羧腈及其自由碱和药学上可接受的盐的新工艺，特别是2-羟基-3-[5-(吗啡啉-4-基甲基)吡啶-2-基]1H-吲哚-5-羧腈柠檬酸盐，并涉及在该工艺中制备的新中间体，适用于大规模制造该化合物。
• PROCESS FOR THE MANUFACTURING OF THE COMPOUND 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701
  申请人：Delisser Vern

  公开号：US20100286392A1

  公开（公告）日：2010-11-11

  The present invention relates to a new process for the manufacture of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile as a free base and pharmaceutically acceptable salts thereof, particularly the 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile citrate, and to new intermediates prepared in said process suitable for large scale manufacturing of said compound.

  本发明涉及一种新的制备2-羟基-3-[5-(吗啡啉-4-基甲基)吡啶-2-基]1H-吲哚-5-羧腈自由基和其药学上可接受的盐的方法，特别是2-羟基-3-[5-(吗啡啉-4-基甲基)吡啶-2-基]1H-吲哚-5-羧酸盐，并涉及在该过程中制备的新中间体，适用于大规模制造该化合物。
• A NEW PROCESS FOR THE MANUFACTURING OF THE COMPOUND 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701
  申请人：AstraZeneca AB

  公开号：EP2146979A1

  公开（公告）日：2010-01-27
• US8101750B2
  申请人：——

  公开号：US8101750B2

  公开（公告）日：2012-01-24
• [EN] A NEW PROCESS FOR THE MANUFACTURING OF THE COMPOUND 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701<br/>[FR] NOUVEAU PROCEDE DE FABRICATION DE 2-HYDROXY-3-[5-(MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL]1H-INDOLE-5-CARBONITRILE 701
  申请人：ASTRAZENECA AB

  公开号：WO2008130312A1

  公开（公告）日：2008-10-30

  [EN] The present invention relates to a new process for the manufacture of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile as a free base and pharmaceutically acceptable salts thereof, particularly the 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile citrate, and to new intermediates prepared in said process suitable for large scale manufacturing of said compound.
  [FR] L'invention concerne un nouveau procédé de fabrication de 2-hydroxy-3-[5-(morpholin-4-ylméthyl)pyridin-2-yl]1H-indole-5-carbonitrile sous forme de base libre, et de sels pharmaceutiquement acceptables de ce composé, en particulier 2-hydroxy-3-[5-(morpholin-4-ylméthyl)pyridin-2-yl]1H-indole-5-carbonitrile citrate. L'invention concerne également de nouveaux intermédiaires obtenus par ledit procédé, convenant à une fabrication à grande échelle.