4-benzyl-3-cyclohexyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one | 1346523-85-0

• 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: 4-benzyl-3-cyclohexyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
• 英文别名: 4-benzyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
• CAS: 1346523-85-0
• 化学式: C₂₂H₂₆N₂O
• 分子量: 334.461
• InChiKey: DIYHXSZZISAJMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-azidobenzyl)-1-phenylmethanamine 在 水 、 三甲基膦 作用下， 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 4-benzyl-3-cyclohexyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
  参考文献：
  名称：

  Exploiting the Acylating Nature of the Imide-Ugi Intermediate: A Straightforward Synthesis of Tetrahydro-1,4-benzodiazepin-2-ones

  摘要：

  We describe a simple and novel protocol for the synthesis of tetrahydro-1,4-benzodiazepin-2-ones with three points of diversity, exploiting the acylating properties of the recently rediscovered Ugi-imide. The final compounds can be easily prepared in three synthetic steps using a multicomponent reaction, a Staudinger reduction, and an acylative protocol, with good to excellent yields for each synthetic step.

  DOI：

  10.1021/jo2015054

文献信息

• Exploiting the Acylating Nature of the Imide-Ugi Intermediate: A Straightforward Synthesis of Tetrahydro-1,4-benzodiazepin-2-ones
  作者：Riccardo Mossetti、Dèsirèe Saggiorato、Gian Cesare Tron

  DOI：10.1021/jo2015054

  日期：2011.12.16

  We describe a simple and novel protocol for the synthesis of tetrahydro-1,4-benzodiazepin-2-ones with three points of diversity, exploiting the acylating properties of the recently rediscovered Ugi-imide. The final compounds can be easily prepared in three synthetic steps using a multicomponent reaction, a Staudinger reduction, and an acylative protocol, with good to excellent yields for each synthetic step.