(S)-2-(2-氯苯基)甘氨酰胺盐酸盐 | 1198213-98-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (S)-2-(2-氯苯基)甘氨酰胺盐酸盐
• 中文别名: 氯吡格雷杂质5
• 英文名称: (S)-2-(2-chlorophenyl)glycinamide hydrochloride
• 英文别名: (2S)-2-amino-2-(2-chlorophenyl)acetamide;hydrochloride
• CAS: 1198213-98-7
• 化学式: C₈H₉ClN₂O*ClH
• 分子量: 221.086
• InChiKey: DHODHNZHTVMUJR-FJXQXJEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 (S)-2-(2-氯苯基)甘氨酰胺盐酸盐 在 硫酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 以94%的产率得到(S)-(+)-2-氯苯甘氨酸甲酯
  参考文献：
  名称：

  Attrition-Enhanced Deracemization in the Synthesis of Clopidogrel - A Practical Application of a New Discovery

  摘要：

  The recently discovered technique of deracemization by means of attrition-induced grinding of a solid conglomerate in contact with a solution wherein racemization occurs has been used with a derivative of 2-chlorophenyl glycine, the key chiral component in the synthesis of Clopidogrel (Plavix). Deracemization of the racemate proceeds to a single enantiomer and in essentially absolute enantiomeric excess. Further conversion of enantiomerically pure material to Clopidogrel was achieved in 88% yield.

  DOI：

  10.1021/op900243c
• 作为产物：
  描述：

  (S)-(E)-2-(benzylideneamino)-2-(2-chlorophenyl)acetamide 在 盐酸 、 水 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以95%的产率得到(S)-2-(2-氯苯基)甘氨酰胺盐酸盐
  参考文献：
  名称：

  Attrition-Enhanced Deracemization in the Synthesis of Clopidogrel - A Practical Application of a New Discovery

  摘要：

  The recently discovered technique of deracemization by means of attrition-induced grinding of a solid conglomerate in contact with a solution wherein racemization occurs has been used with a derivative of 2-chlorophenyl glycine, the key chiral component in the synthesis of Clopidogrel (Plavix). Deracemization of the racemate proceeds to a single enantiomer and in essentially absolute enantiomeric excess. Further conversion of enantiomerically pure material to Clopidogrel was achieved in 88% yield.

  DOI：

  10.1021/op900243c

文献信息

• [EN] TACHYKININ RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR TACHYKININE
  申请人：LILLY CO ELI

  公开号：WO2005000821A1

  公开（公告）日：2005-01-06

  The present invention relates to selective NK-1 receptor antagonists of Formula (I) or a pharmaceutically acceptable salt thereof, for the treatment of disorders associated with an excess of tachykinins.

  本发明涉及选择性NK-1受体拮抗剂的化学式(I)或其药用盐，用于治疗与过多的缓激肽相关的疾病。
• Tachykinin receptor antagonists
  申请人：Amegadzie Kudzovi Albert

  公开号：US20060160794A1

  公开（公告）日：2006-07-20

  The present invention relates to selective NK-1 receptor antagonists of Formula (I) or a pharmaceutically acceptable salt thereof, for the treatment of disorders associated with an excess of tachykinins.

  本发明涉及公式(I)或其药学上可接受的盐的选择性NK-1受体拮抗剂，用于治疗与过量Tachykinins相关的疾病。
• TACHYKININ RECEPTOR ANTAGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1638944A1

  公开（公告）日：2006-03-29
• Attrition-Enhanced Deracemization in the Synthesis of Clopidogrel - A Practical Application of a New Discovery
  作者：Maarten W. van der Meijden、Michel Leeman、Edith Gelens、Wim L. Noorduin、Hugo Meekes、Willem J. P. van Enckevort、Bernard Kaptein、Elias Vlieg、Richard M. Kellogg

  DOI：10.1021/op900243c

  日期：2009.11.20

  The recently discovered technique of deracemization by means of attrition-induced grinding of a solid conglomerate in contact with a solution wherein racemization occurs has been used with a derivative of 2-chlorophenyl glycine, the key chiral component in the synthesis of Clopidogrel (Plavix). Deracemization of the racemate proceeds to a single enantiomer and in essentially absolute enantiomeric excess. Further conversion of enantiomerically pure material to Clopidogrel was achieved in 88% yield.