(1Z,4Z)-7-chloro-3-(1,3-dithian-2-ylidene)-2,4-diethyl-3H-benzo[b][1,4]diazepine | 1132674-27-1

• 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: (1Z,4Z)-7-chloro-3-(1,3-dithian-2-ylidene)-2,4-diethyl-3H-benzo[b][1,4]diazepine
• 英文别名: 7-Chloro-3-(1,3-dithian-2-ylidene)-2,4-diethyl-1,5-benzodiazepine
• CAS: 1132674-27-1
• 化学式: C₁₇H₁₉ClN₂S₂
• 分子量: 350.936
• InChiKey: ZFELXGFFHMXUGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  450.8±45.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-Hepta-2,5-diyn-4-ylidene-1,3-dithiane 、 4-氯-1,2-苯二胺 在 三氟乙酸 作用下， 以 乙醇 为溶剂， 以65%的产率得到(1Z,4Z)-7-chloro-3-(1,3-dithian-2-ylidene)-2,4-diethyl-3H-benzo[b][1,4]diazepine
  参考文献：
  名称：

  Proton‐Promoted Hydroamination of 3‐Dialkylthiomethylene‐1,4‐pentadiynes witho‐Phenylenediamines: A Facile Route to Benzo[b][1,4]diazepines

  摘要：

  AbstractThe first proton‐promoted intermolecular hydroamination reaction of the enynes, α,α‐dialkynylketene S,S‐acetals 2, is described. A series of benzo[b][1,4]diazepines, with the structures of 3 and 5, were prepared chemo‐ and regioselectively in good to high yields by reacting the readily available 1,4‐diynes 2 with both terminal and internal alkyne functions with o‐phenylenediamines under very mild conditions.

  DOI：

  10.1002/adsc.200700547

文献信息

• Proton‐Promoted Hydroamination of 3‐Dialkylthiomethylene‐1,4‐pentadiynes with<i>o</i>‐Phenylenediamines: A Facile Route to Benzo[<i>b</i>][1,4]diazepines
  作者：Yu‐Long Zhao、Da‐Zhi Li、Xiao‐Dan Han、Li Chen、Qun Liu

  DOI：10.1002/adsc.200700547

  日期：2008.7.7

  AbstractThe first proton‐promoted intermolecular hydroamination reaction of the enynes, α,α‐dialkynylketene S,S‐acetals 2, is described. A series of benzo[b][1,4]diazepines, with the structures of 3 and 5, were prepared chemo‐ and regioselectively in good to high yields by reacting the readily available 1,4‐diynes 2 with both terminal and internal alkyne functions with o‐phenylenediamines under very mild conditions.