(Z)-3-Heptylamino-but-2-enoic acid heptylamide | 132234-52-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: (Z)-3-Heptylamino-but-2-enoic acid heptylamide
• 英文别名: (Z)-N-heptyl-3-(heptylamino)but-2-enamide
• CAS: 132234-52-7
• 化学式: C₁₈H₃₆N₂O
• 分子量: 296.497
• InChiKey: NKYYUKLLMOFCSK-MSUUIHNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  21.0
• 可旋转键数：
  14.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  庚胺 、 (Z)-3-Heptylamino-but-2-enoic acid heptylamide 以 xylene 为溶剂， 反应 40.0h， 生成 (Z)-3-Heptylamino-but-2-enoic acid tert-butyl ester
  参考文献：
  名称：

  Transacetoacetylation with tert-butyl acetoacetate: synthetic applications

  摘要：

  Reaction of various nucleophiles with tert-butyl acetoacetate (t-BAA, 1a) is shown to be a convenient method for the preparation of a wide variety of acetoacetic acid derivatives. This material can be used to prepare acetoacetates and acetoacetamides from a wide variety of alcohols and amines. Reaction of 1a with an unhindered primary amine such as n-heptylamine under standard conditions gives unwanted byproducts due to the formation of the enamines 24 and 25. Formation of these byproducts can be minimized by dilution and/or altering the mode of addition.

  DOI：

  10.1021/jo00005a013
• 作为产物：
  描述：

  庚胺 以 甲苯 为溶剂， 反应 1.92h， 生成 (Z)-3-Heptylamino-but-2-enoic acid heptylamide
  参考文献：
  名称：

  Transacetoacetylation with tert-butyl acetoacetate: synthetic applications

  摘要：

  Reaction of various nucleophiles with tert-butyl acetoacetate (t-BAA, 1a) is shown to be a convenient method for the preparation of a wide variety of acetoacetic acid derivatives. This material can be used to prepare acetoacetates and acetoacetamides from a wide variety of alcohols and amines. Reaction of 1a with an unhindered primary amine such as n-heptylamine under standard conditions gives unwanted byproducts due to the formation of the enamines 24 and 25. Formation of these byproducts can be minimized by dilution and/or altering the mode of addition.

  DOI：

  10.1021/jo00005a013

文献信息

• WITZEMAN, J. STEWART;NOTTINGHAM, W. DELL, J. ORG. CHEM., 56,(1991) N, C. 1713-1718
  作者：WITZEMAN, J. STEWART、NOTTINGHAM, W. DELL

  DOI：——

  日期：——
• Transacetoacetylation with tert-butyl acetoacetate: synthetic applications
  作者：J. Stewart Witzeman、W. Dell Nottingham

  DOI：10.1021/jo00005a013

  日期：1991.3

  Reaction of various nucleophiles with tert-butyl acetoacetate (t-BAA, 1a) is shown to be a convenient method for the preparation of a wide variety of acetoacetic acid derivatives. This material can be used to prepare acetoacetates and acetoacetamides from a wide variety of alcohols and amines. Reaction of 1a with an unhindered primary amine such as n-heptylamine under standard conditions gives unwanted byproducts due to the formation of the enamines 24 and 25. Formation of these byproducts can be minimized by dilution and/or altering the mode of addition.