methyl-2-cyano-4-cyclopropylidene pentanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl-2-cyano-4-cyclopropylidene pentanoate
• 英文别名: Methyl 2-cyano-4-cyclopropylidenepentanoate
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: PQQCXHWWIBNDEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氰乙酸甲酯 、 2-cyclopropylidene-1-phenoxy propane 在 palladium diacetate 、 三苯基膦 作用下， 生成 methyl-2-cyano-4-cyclopropylidene pentanoate
  参考文献：
  名称：

  Palladium (0) Catalyzed Nucleophilic Substitution On 2-Cyclopropylidene-phenoxy Ethanes

  摘要：

  2-cyclopropylidene-phenoxy ethanes 5, 2-substituted with alkyl, aryl or heterocyclic groups are readily obtained in high yields by the Wittig reaction of the easily accessible a-phenoxy etanones 4 with (3-bromo propyl) triphenylphosphonium bromide. They react with complete regioselectivity in palladium (0) catalyzed nucleophilic substitutions with a series of soft carbon nucleophiles giving an easy entry to 5,6-methanoamino acids.

  DOI：

  10.1080/00397919708004192

文献信息

• Palladium (0) Catalyzed Nucleophilic Substitution On 2-Cyclopropylidene-phenoxy Ethanes
  作者：Angela M. Bernard、Pier P. Piras

  DOI：10.1080/00397919708004192

  日期：1997.3

  2-cyclopropylidene-phenoxy ethanes 5, 2-substituted with alkyl, aryl or heterocyclic groups are readily obtained in high yields by the Wittig reaction of the easily accessible a-phenoxy etanones 4 with (3-bromo propyl) triphenylphosphonium bromide. They react with complete regioselectivity in palladium (0) catalyzed nucleophilic substitutions with a series of soft carbon nucleophiles giving an easy entry to 5,6-methanoamino acids.