1-benzyl-4-(4-bromophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one | 1337994-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1-benzyl-4-(4-bromophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
• 英文别名: 1-benzyl-4-(4-bromophenyl)-3H-1,5-benzodiazepin-2-one
• CAS: 1337994-25-8
• 化学式: C₂₂H₁₇BrN₂O
• 分子量: 405.294
• InChiKey: AANUIZXZNZYZJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzyl-4-(4-bromophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one 在 (3R,5S)-5-(hydroxydiphenylmethyl)-1-picolinoylpyrrolidin-3-yl pivalate 、 三氯硅烷 作用下， 以 1,2-二氯乙烷 为溶剂， 以97%的产率得到(S)-1-benzyl-4-(4-bromophenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
  参考文献：
  名称：

  Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation

  摘要：

  Enantioselective synthesis of 4-substituted 4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-ones has been accomplished through chiral Lewis base-catalyzed hydrosilylation. The corresponding products were obtained in excellent yields (up to 99%) and enantioselectivities (up to 98%). The absolute configuration of product 3n has been determined as S by X-ray crystallographic analysis.

  DOI：

  10.1021/jo201334n
• 作为产物：
  描述：

  溴甲苯 、 4-(4-bromo-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-benzyl-4-(4-bromophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
  参考文献：
  名称：

  Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1H-[1,5]benzodiazepin-2(3H)-ones by the Lewis Base-Catalyzed Hydrosilylation

  摘要：

  Enantioselective synthesis of 4-substituted 4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-ones has been accomplished through chiral Lewis base-catalyzed hydrosilylation. The corresponding products were obtained in excellent yields (up to 99%) and enantioselectivities (up to 98%). The absolute configuration of product 3n has been determined as S by X-ray crystallographic analysis.

  DOI：

  10.1021/jo201334n

文献信息

• Enantioselective Synthesis of 4-Substituted 4,5-Dihydro-1<i>H</i>-[1,5]benzodiazepin-2(3<i>H</i>)-ones by the Lewis Base-Catalyzed Hydrosilylation
  作者：Xing Chen、Yongsheng Zheng、Chang Shu、Weicheng Yuan、Bo Liu、Xiaomei Zhang

  DOI：10.1021/jo201334n

  日期：2011.11.4

  Enantioselective synthesis of 4-substituted 4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-ones has been accomplished through chiral Lewis base-catalyzed hydrosilylation. The corresponding products were obtained in excellent yields (up to 99%) and enantioselectivities (up to 98%). The absolute configuration of product 3n has been determined as S by X-ray crystallographic analysis.