diethyl (N-acetylamino)[{4-(methoxycarbonyl)phenyl}methyl]malonate | 109564-46-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl (N-acetylamino)[{4-(methoxycarbonyl)phenyl}methyl]malonate
• 英文别名: (4-Methoxycarbonyl-benzyl)-acetamino-malonsaeure-diethylester；Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate；diethyl 2-acetamido-2-[(4-methoxycarbonylphenyl)methyl]propanedioate
• CAS: 109564-46-7
• 化学式: C₁₈H₂₃NO₇
• 分子量: 365.383
• InChiKey: QQRDRVFHXKXWTE-UHFFFAOYSA-N

物化性质

• 沸点：
  516.2±50.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酰氨基丙二酸二乙酯 、 4-(methoxycarbonyl)benzyl methyl carbonate 在 1,1'-双(二苯基膦)二茂铁 、 1,5-cis,cis-cyclooctadiene 、 [PdCp(η3-C3H5)] 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到diethyl (N-acetylamino)[{4-(methoxycarbonyl)phenyl}methyl]malonate
  参考文献：
  名称：

  Palladium-Catalyzed Benzylation of Active Methine Compounds without Additional Base:  Remarkable Effect of 1,5-Cyclooctadiene

  摘要：

  The palladium complex prepared from DPPF and Cp(eta(3)-C3H5)Pd is an effective catalyst for the alkylation of active methine compounds with benzylic carbonates under neutral conditions. The addition of 1,5-cyclooctadiene brought about remarkable improvement in the lifetime of the palladium catalyst, which led to high yields of the desired benzylation products.

  DOI：

  10.1021/ol048540e

文献信息

• Palladium-Catalyzed Benzylation of Active Methine Compounds without Additional Base:  Remarkable Effect of 1,5-Cyclooctadiene
  作者：Ryoichi Kuwano、Yutaka Kondo

  DOI：10.1021/ol048540e

  日期：2004.9.1

  The palladium complex prepared from DPPF and Cp(eta(3)-C3H5)Pd is an effective catalyst for the alkylation of active methine compounds with benzylic carbonates under neutral conditions. The addition of 1,5-cyclooctadiene brought about remarkable improvement in the lifetime of the palladium catalyst, which led to high yields of the desired benzylation products.