7,8-Dichlor-4-methyl-1H-1,5-benzodiazepin-2(3H)-on | 27038-57-9

• 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: 7,8-Dichlor-4-methyl-1H-1,5-benzodiazepin-2(3H)-on
• 英文别名: 7,8-dichloro-4-methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one；7,8-dichloro-2,3-dihydro-4-methyl-1H-1,5-benzo-diazepin-2-one；7,8-Dichloro-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
• CAS: 27038-57-9
• 化学式: C₁₀H₈Cl₂N₂O
• 分子量: 243.092
• InChiKey: VVQVUBSJGQKHAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1,3,3-四甲基丁基异腈 、 7,8-Dichlor-4-methyl-1H-1,5-benzodiazepin-2(3H)-on 在 对甲苯磺酸 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines

  摘要：

  In this work, two novel isocyanide-based multicomponent reactions of 1,2-diamine compounds with diketene have been developed as efficient strategies for the synthesis of 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamides with regiochemical control and 1,6-dihydropyrazine-2,3-dicarbonitriles in good to excellent yields at ambient temperature.

  DOI：

  10.1021/cc900125a
• 作为产物：
  描述：

  双乙烯酮 、 4,5-二氯邻苯二胺 以 乙腈 为溶剂， 生成 7,8-Dichlor-4-methyl-1H-1,5-benzodiazepin-2(3H)-on
  参考文献：
  名称：

  Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines

  摘要：

  In this work, two novel isocyanide-based multicomponent reactions of 1,2-diamine compounds with diketene have been developed as efficient strategies for the synthesis of 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamides with regiochemical control and 1,6-dihydropyrazine-2,3-dicarbonitriles in good to excellent yields at ambient temperature.

  DOI：

  10.1021/cc900125a

表征谱图