(2-oxo-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester | 868270-14-8

• 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
• 英文名称: (2-oxo-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester
• 英文别名: ethyl 2-(2-oxo-5-phenyl-1H-1,3,4-benzotriazepin-3-yl)acetate
• CAS: 868270-14-8
• 化学式: C₁₈H₁₇N₃O₃
• 分子量: 323.351
• InChiKey: TVBLGRZSXBVYIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-oxo-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester 在 sodium hydroxide 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.5h， 生成 (1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)acetic acid
  参考文献：
  名称：

  Novel, Achiral 1,3,4-Benzotriazepine Analogues of 1,4-Benzodiazepine-Based CCK₂ Antagonists That Display High Selectivity over CCK₁ Receptors

  摘要：

  A series of 1,3,4-benzotritzepine-based CCK2 antagonists have been devised by consideration of the structural features that govern CCK receptor affinity and the receptor subtype selectivity of 1,4-benzodiazepine-based CCK2 antagonists. In contrast to the latter compounds, these novel 1.3.4-benzotriazepines are achiral, yet they display similar affinity for CCK2 receptors to the earlier molecules and are highly selective over CCK1 receptors.

  DOI：

  10.1021/jm051219x
• 作为产物：
  描述：

  2-氨基二苯甲酮 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 (2-oxo-5-phenyl-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester
  参考文献：
  名称：

  Novel, Achiral 1,3,4-Benzotriazepine Analogues of 1,4-Benzodiazepine-Based CCK₂ Antagonists That Display High Selectivity over CCK₁ Receptors

  摘要：

  A series of 1,3,4-benzotritzepine-based CCK2 antagonists have been devised by consideration of the structural features that govern CCK receptor affinity and the receptor subtype selectivity of 1,4-benzodiazepine-based CCK2 antagonists. In contrast to the latter compounds, these novel 1.3.4-benzotriazepines are achiral, yet they display similar affinity for CCK2 receptors to the earlier molecules and are highly selective over CCK1 receptors.

  DOI：

  10.1021/jm051219x

文献信息

• PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES
  申请人：Abdel-Magid F. Ahmed

  公开号：US20070066819A1

  公开（公告）日：2007-03-22

  The present invention is directed to a novel process for the preparation of benzo[e][1,2,4]triazepin-2-one derivatives, useful in the preparation of gastrin and cholecystokinin receptor ligands.

  本发明涉及一种新型制备苯并[e][1,2,4]三唑啶-2-酮衍生物的方法，该方法在胃泌素和胆囊收缩素受体配体的制备中具有用途。
• PROCESS FOR THE PREPARATION OF BENZO[E][1,2,4]TRIAZEPIN-2-ONE DERIVATIVES
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP1948624A2

  公开（公告）日：2008-07-30
• US7582753B2
  申请人：——

  公开号：US7582753B2

  公开（公告）日：2009-09-01
• [EN] PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DES DERIVES DE BENZOTRIAZEPINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2007035430A2

  公开（公告）日：2007-03-29

  [EN] The present invention is directed to a novel process for the preparation of benzo[e][1,2,4]triazepin-2-one derivatives, useful in the preparation of gastrin and cholecystokinin receptor ligands.
  [FR] La présente invention porte sur un nouveau procédé de préparation de dérivés de benzo[e][1,2,4]triazepin-2-one utiles dans la préparation de la gastrine et de ligands du récepteur de la cholécystokinine.