4-Oxo-3-phenylpentane-1,1,2,2-tetracarbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Oxo-3-phenylpentane-1,1,2,2-tetracarbonitrile
• 化学式: C₁₅H₁₀N₄O
• 分子量: 262.271
• InChiKey: JBXARIRBDYYREL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Oxo-3-phenylpentane-1,1,2,2-tetracarbonitrile 、 异丁醛 在 ammonium acetate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.0h， 以91%的产率得到6-imino-3-isopropyl-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
  参考文献：
  名称：

  A novel method for the domino synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles and studies of stereochemical characteristics of formation and structure thereof

  摘要：

  A novel universal method for the preparative synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles was developed, previously unknown 1- and 8-aryl-substituted derivatives were synthesized, stereochemical characteristics of this transformation were studied, and the reasons for its diastereoselectivity were identified.

  DOI：

  10.1007/s10593-015-1720-7

文献信息

• A novel method for the domino synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles and studies of stereochemical characteristics of formation and structure thereof
  作者：Mikhail Yu. Ievlev、Oleg V. Ershov、Angelina G. Milovidova、Mikhail Yu. Belikov、Oleg E. Nasakin

  DOI：10.1007/s10593-015-1720-7

  日期：2015.5

  A novel universal method for the preparative synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles was developed, previously unknown 1- and 8-aryl-substituted derivatives were synthesized, stereochemical characteristics of this transformation were studied, and the reasons for its diastereoselectivity were identified.