2-(benzyloxycarbamoyl)-N-(6-chloro-3-(3-chlorobenzoyl)pyridin-2-yl)-N-methylacetamide | 1360114-04-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(benzyloxycarbamoyl)-N-(6-chloro-3-(3-chlorobenzoyl)pyridin-2-yl)-N-methylacetamide
• 英文别名: benzyl N-[2-[[6-chloro-3-(3-chlorobenzoyl)pyridin-2-yl]-methylamino]-2-oxoethyl]carbamate
• CAS: 1360114-04-0
• 化学式: C₂₃H₁₉Cl₂N₃O₄
• 分子量: 472.328
• InChiKey: RVQVJZPMDKWZHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  88.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(benzyloxycarbamoyl)-N-(6-chloro-3-(3-chlorobenzoyl)pyridin-2-yl)-N-methylacetamide 在 溴 、 溶剂黄146 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 以35%的产率得到8-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-pyrido[2,3-e][1,4]diazepin-2-one
  参考文献：
  名称：

  Novel access to 1,4-benzodiazepin-2-ones via the Buchwald reaction and application to the synthesis of novel heterocyclics

  摘要：

  A new two step strategy for the preparation of 1,4-benzodiazepin-2-ones has been developed starting from the 2-halogenobenzophenone under Buchwald conditions (Pd(OAc)(2), XantPhos, Cs2CO3, dioxane 100 degrees C). This strategy has been extended to two 2-halogeno-3-benzoyl-azines (pyridines, pyridazines). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.12.045
• 作为产物：
  描述：

  (3-chloro-phenyl)-(2,6-dichloro-pyridin-3-yl)-methanol 在 chromium(VI) oxide 、 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 16.5h， 生成 2-(benzyloxycarbamoyl)-N-(6-chloro-3-(3-chlorobenzoyl)pyridin-2-yl)-N-methylacetamide
  参考文献：
  名称：

  Novel access to 1,4-benzodiazepin-2-ones via the Buchwald reaction and application to the synthesis of novel heterocyclics

  摘要：

  A new two step strategy for the preparation of 1,4-benzodiazepin-2-ones has been developed starting from the 2-halogenobenzophenone under Buchwald conditions (Pd(OAc)(2), XantPhos, Cs2CO3, dioxane 100 degrees C). This strategy has been extended to two 2-halogeno-3-benzoyl-azines (pyridines, pyridazines). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.12.045

文献信息

• Novel access to 1,4-benzodiazepin-2-ones via the Buchwald reaction and application to the synthesis of novel heterocyclics
  作者：Christophe Salomé、Martine Schmitt、Jean-Jacques Bourguignon

  DOI：10.1016/j.tetlet.2011.12.045

  日期：2012.2

  A new two step strategy for the preparation of 1,4-benzodiazepin-2-ones has been developed starting from the 2-halogenobenzophenone under Buchwald conditions (Pd(OAc)(2), XantPhos, Cs2CO3, dioxane 100 degrees C). This strategy has been extended to two 2-halogeno-3-benzoyl-azines (pyridines, pyridazines). (C) 2011 Elsevier Ltd. All rights reserved.