1-benzyl-4-(4-methoxyphenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one | 1189734-22-2

• 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-methoxyphenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
• 英文别名: 1-Benzyl-4-(4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one；1-benzyl-4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-one
• CAS: 1189734-22-2
• 化学式: C₂₃H₂₀N₂O₂
• mdl: MFCD27137129
• 分子量: 356.424
• InChiKey: NCEOMGJSMFSEET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-benzyl-4-(4-methoxyphenyl)-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1-benzyl-4-(4-methoxyphenyl)-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-甲氧基苯基)-1,3-二氢-1,5-苯并二氮杂-2-酮 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-methoxyphenyl)-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