diethyl (acetylamino)[1-(4-methoxyphenyl)vinyl]malonate | 949887-08-5

• 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 (acetylamino)[1-(4-methoxyphenyl)vinyl]malonate
• 英文别名: Diethyl 2-acetamido-2-[1-(4-methoxyphenyl)ethenyl]propanedioate
• CAS: 949887-08-5
• 化学式: C₁₈H₂₃NO₆
• 分子量: 349.384
• InChiKey: CSYKVUDODPZWAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl (acetylamino)[1-(4-methoxyphenyl)vinyl]malonate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 20.0~25.0 ℃ 、344.75 kPa 条件下， 反应 4.0h， 以95%的产率得到diethyl (acetylamino)[1-(4-methoxyphenyl)ethyl]malonate
  参考文献：
  名称：

  Indium(III)-Catalyzed Addition of Diethyl Acetamidomalonate to Terminal Alkynes:  An Efficient Approach to β-Branched α-Amino Acids

  摘要：

  The indium(III)-catalyzed Markovnikov addition of active methylene compounds to terminal alkynes has been expanded further to include diethyl acetamidomalonate. This reaction has been studied, and a practical approach to beta-branched a-amino acids was developed.

  DOI：

  10.1021/jo070878+
• 作为产物：
  描述：

  4-乙炔基苯甲醚 、 乙酰氨基丙二酸二乙酯 在 indium(III) triflate 、 N-甲基吗啉 作用下， 反应 16.0h， 以67%的产率得到diethyl (acetylamino)[1-(4-methoxyphenyl)vinyl]malonate
  参考文献：
  名称：

  Indium(III)-Catalyzed Addition of Diethyl Acetamidomalonate to Terminal Alkynes:  An Efficient Approach to β-Branched α-Amino Acids

  摘要：

  The indium(III)-catalyzed Markovnikov addition of active methylene compounds to terminal alkynes has been expanded further to include diethyl acetamidomalonate. This reaction has been studied, and a practical approach to beta-branched a-amino acids was developed.

  DOI：

  10.1021/jo070878+

文献信息

• Indium(III)-Catalyzed Addition of Diethyl Acetamidomalonate to Terminal Alkynes:  An Efficient Approach to β-Branched α-Amino Acids
  作者：Paul Angell、Peter G. Blazecka、Mark Lovdahl、Ji Zhang

  DOI：10.1021/jo070878+

  日期：2007.8.1

  The indium(III)-catalyzed Markovnikov addition of active methylene compounds to terminal alkynes has been expanded further to include diethyl acetamidomalonate. This reaction has been studied, and a practical approach to beta-branched a-amino acids was developed.