(2S,4R)-2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine

• 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: (2S,4R)-2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
• 化学式: C₂₄H₂₆N₂O₂
• 分子量: 374.483
• InChiKey: IWKLXNHIGJNDLO-BJKOFHAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-bis(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine 在 4-hydroxy-2,6-diphenyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide 、 diallyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 、 sodium sulfate 作用下， 以 氯仿 为溶剂， 反应 132.0h， 生成 (2S,4R)-2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine 、 (2R,4R)-2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine 、 (2S,4S)-2,4-bis(3-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine 、 (2S,4R)-2,4-bis(3-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine
  参考文献：
  名称：

  Dynamic kinetic asymmetric transfer hydrogenation of racemic 2,4-diaryl-2,3-dihydrobenzo[b][1,4]diazepines catalyzed by chiral phosphoric acids

  摘要：

  Dynamic kinetic Transfer hydrogenation reaction of 2-methyl-2,4-diaryl-2,3-dihydrobenzo[b][1,4]diazepines, using phosphoric acids as catalysts and Hantzsch ester as hydride source, has been studied. A 3,3'-H8-binol derived phosphoric acid has been identified the optimal chiral catalyst for this transformation, affording 1,3-diamine derivatives with up to 8/1 dr, 86% ee and 94% ee for the major and minor diastereomers, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.039