7-Allyl-6,7,8,9-tetrahydro-2H-2,9a-diaza-benzo[cd]azulen-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-Allyl-6,7,8,9-tetrahydro-2H-2,9a-diaza-benzo[cd]azulen-1-one
• 英文别名: 6-Allyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one；10-prop-2-enyl-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
• 化学式: C₁₄H₁₆N₂O
• 分子量: 228.294
• InChiKey: PQNJPRXVEVZOTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-Allyl-6,7,8,9-tetrahydro-2H-2,9a-diaza-benzo[cd]azulen-1-one 在 三氯氧磷 作用下， 生成 7-Allyl-1-chloro-6,7,8,9-tetrahydro-2,9a-diaza-benzo[cd]azulene
  参考文献：
  名称：

  Synthesis of imidazobenzazepinthiones: A new series of HIV-1 reverse transcriptase inhibitors

  摘要：

  A general route to a series of novel imidazobenzazepines that are ''carba'' analogs of the TIBO class of non-nucleoside HIV-1 reverse transcriptase inhibitors has been developed. A pair of allyl side-chain containing compounds were found to have significant HIV-1 inhibitory activity.

  DOI：

  10.1016/0040-4039(95)00006-x
• 作为产物：
  描述：

  7-Allyl-8,9-dihydro-2H,7H-2,9a-diaza-benzo[cd]azulene-1,6-dione 在 三乙基硅烷 作用下， 以 三氟乙酸 为溶剂， 以63%的产率得到7-Allyl-6,7,8,9-tetrahydro-2H-2,9a-diaza-benzo[cd]azulen-1-one
  参考文献：
  名称：

  Synthesis of imidazobenzazepinthiones: A new series of HIV-1 reverse transcriptase inhibitors

  摘要：

  A general route to a series of novel imidazobenzazepines that are ''carba'' analogs of the TIBO class of non-nucleoside HIV-1 reverse transcriptase inhibitors has been developed. A pair of allyl side-chain containing compounds were found to have significant HIV-1 inhibitory activity.

  DOI：

  10.1016/0040-4039(95)00006-x

文献信息

• Synthesis of imidazobenzazepinthiones: A new series of HIV-1 reverse transcriptase inhibitors
  作者：Edward J. Salaski

  DOI：10.1016/0040-4039(95)00006-x

  日期：1995.2

  A general route to a series of novel imidazobenzazepines that are ''carba'' analogs of the TIBO class of non-nucleoside HIV-1 reverse transcriptase inhibitors has been developed. A pair of allyl side-chain containing compounds were found to have significant HIV-1 inhibitory activity.