3,3-bis(4-cyanophenyl)propenal

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,3-bis(4-cyanophenyl)propenal
• 英文别名: 4-[1-(4-Cyanophenyl)-3-oxoprop-1-enyl]benzonitrile；4-[1-(4-cyanophenyl)-3-oxoprop-1-enyl]benzonitrile
• 化学式: C₁₇H₁₀N₂O
• 分子量: 258.279
• InChiKey: WQWJYYCAEKWTTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4’-二氰基二苯甲酮 、 三乙胺 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以12%的产率得到3,3-bis(4-cyanophenyl)propenal
  参考文献：
  名称：

  Phase-vanishing method applied to condensation reactions using TiCl 4

  摘要：

  The phase-vanishing (PV) method using perfluorohexanes as the phase screen was applied to the aldol condensation using TiCl4 as the Lewis acid. A special test tube was used, in which an interface between the fluorous and organic layers was stirred, and cyclohexanone was treated with two equivalents of benzaldehyde derivatives under PV conditions to afford corresponding 2,6-dibenzylidencyclohexanone in good yields. The formyl-methylenation of ketones with triethylamine using TiCl4 was also demonstrated by the PV method. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2017.02.009

文献信息

• Phase-vanishing method applied to condensation reactions using TiCl 4
  作者：Yusuke Adachi、Kenji Kuniyoshi、Hiroshi Matsubara

  DOI：10.1016/j.jfluchem.2017.02.009

  日期：2017.5

  The phase-vanishing (PV) method using perfluorohexanes as the phase screen was applied to the aldol condensation using TiCl4 as the Lewis acid. A special test tube was used, in which an interface between the fluorous and organic layers was stirred, and cyclohexanone was treated with two equivalents of benzaldehyde derivatives under PV conditions to afford corresponding 2,6-dibenzylidencyclohexanone in good yields. The formyl-methylenation of ketones with triethylamine using TiCl4 was also demonstrated by the PV method. (C) 2017 Elsevier B.V. All rights reserved.