2-(1-Methoxy-3-methyl-2-methylene-but-3-enyl)-malonic acid dimethyl ester | 134600-41-2

• 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: 2-(1-Methoxy-3-methyl-2-methylene-but-3-enyl)-malonic acid dimethyl ester
• 英文别名: Dimethyl 2-(1-methoxy-3-methyl-2-methylene-3-butenyl)malonate；dimethyl 2-(1-methoxy-3-methyl-2-methylidenebut-3-enyl)propanedioate
• CAS: 134600-41-2
• 化学式: C₁₂H₁₈O₅
• 分子量: 242.272
• InChiKey: FOTFBAWRSOFYHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴丙烯 、 1-甲氧基-1,2-丙二烯 、 二甲基丙二酸钠 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 1,2-双(二苯基膦)乙烷 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 以94%的产率得到2-(1-Methoxy-3-methyl-2-methylene-but-3-enyl)-malonic acid dimethyl ester
  参考文献：
  名称：

  Carbopalladation of functionalized allenes : regioselectivity of the reaction of carbonucleophiles with the intermediate π-allyl palladium complexes.

  摘要：

  Carbopalladation of functionalized allenes leads to pi-allyl palladium complexes, the regiochemistry of which towards carbonucleophiles has been studied : a methoxy group has been demonstrated to reverse the classical regioselectivity and to allow the formation of the more substituted product.

  DOI：

  10.1016/s0040-4039(00)74332-2

文献信息

• Carbopalladation of functionalized allenes : regioselectivity of the reaction of carbonucleophiles with the intermediate π-allyl palladium complexes.
  作者：Nathalie Chaptal、Véronique Colovray-Gotteland、Cyrille Grandjean、Bernard Cazes、Jacques Goré

  DOI：10.1016/s0040-4039(00)74332-2

  日期：1991.4

  Carbopalladation of functionalized allenes leads to pi-allyl palladium complexes, the regiochemistry of which towards carbonucleophiles has been studied : a methoxy group has been demonstrated to reverse the classical regioselectivity and to allow the formation of the more substituted product.