4-chloro-2-ethyl-1-phenyl-2,5-diazabicyclo<2.2.2>octane-3,6-dione | 138610-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-chloro-2-ethyl-1-phenyl-2,5-diazabicyclo<2.2.2>octane-3,6-dione
• 英文别名: 4-chloro-2-ethyl-1-phenyl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
• CAS: 138610-86-3
• 化学式: C₁₄H₁₅ClN₂O₂
• 分子量: 278.738
• InChiKey: QGHOZTHIULWYGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3,5-dichloro-1-ethyl-6-phenyl-2(1H)-pyrazinone 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 25.0~110.0 ℃ 、2.53 MPa 条件下， 反应 49.0h， 生成 4-chloro-2-ethyl-1-phenyl-2,5-diazabicyclo<2.2.2>octane-3,6-dione
  参考文献：
  名称：

  Cycloadducts of ethene with 2(1H)-pyrazinones and their conversion into 2,5-diazabicyclo[2.2.2]octane-3,6-diones.

  摘要：

  Cycloaddition of variously substituted 2(1H)-pyrazinones with ethene and subsequent hydrolysis of the adducts 2 provides a general and efficient route to the title compounds 3. Compound 3m was used as a building block for a structural analogue of gliotoxin.

  DOI：

  10.1016/s0040-4020(01)96214-3

文献信息

• Cycloadducts of ethene with 2(1H)-pyrazinones and their conversion into 2,5-diazabicyclo[2.2.2]octane-3,6-diones.
  作者：Patrick K. Loosen、Mayoka G. Tutonda、Masoumeh F. Khorasani、Frans Compernolle、Georges J. Hoornaert

  DOI：10.1016/s0040-4020(01)96214-3

  日期：1991.11

  Cycloaddition of variously substituted 2(1H)-pyrazinones with ethene and subsequent hydrolysis of the adducts 2 provides a general and efficient route to the title compounds 3. Compound 3m was used as a building block for a structural analogue of gliotoxin.