Ethyl 6,6-dicyano-4-methyl-2-methylidene-3,5-diphenylhex-5-enoate | 1180845-14-0

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: Ethyl 6,6-dicyano-4-methyl-2-methylidene-3,5-diphenylhex-5-enoate
• 英文别名: ethyl 6,6-dicyano-4-methyl-2-methylidene-3,5-diphenylhex-5-enoate
• CAS: 1180845-14-0
• 化学式: C₂₄H₂₂N₂O₂
• 分子量: 370.451
• InChiKey: TWLIQXULMRQWEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  73.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(1-苯基亚丙基)丙二腈 、 ethyl 2-((tert-butoxycarbonyloxy)(phenyl)methyl)acrylate 在 三苯基膦 作用下， 以 异丙醇 为溶剂， 以89%的产率得到Ethyl 6,6-dicyano-4-methyl-2-methylidene-3,5-diphenylhex-5-enoate
  参考文献：
  名称：

  Phosphine-catalyzed [3+3] annulation reaction of modified tert-butyl allylic carbonates and substituted alkylidenemalononitriles

  摘要：

  A phosphine-catalyzed [3+3] annulation reaction of modified tert-butyl allylic carbonates with various alkylidenemalononitriles to form cyclohexenes was developed. The use of protic solvent is crucial in this reaction. When non-polar solvent, toluene or xylene, was used, only non-cyclized product was obtained. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.05.085

文献信息

• Phosphine-catalyzed [3+3] annulation reaction of modified tert-butyl allylic carbonates and substituted alkylidenemalononitriles
  作者：Suqing Zheng、Xiyan Lu

  DOI：10.1016/j.tetlet.2009.05.085

  日期：2009.8

  A phosphine-catalyzed [3+3] annulation reaction of modified tert-butyl allylic carbonates with various alkylidenemalononitriles to form cyclohexenes was developed. The use of protic solvent is crucial in this reaction. When non-polar solvent, toluene or xylene, was used, only non-cyclized product was obtained. (C) 2009 Elsevier Ltd. All rights reserved.