(2Z)-3-[(2,2-diethoxyethyl)carbamoyl]prop-2-enoic acid | 188985-06-0

• 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: (2Z)-3-[(2,2-diethoxyethyl)carbamoyl]prop-2-enoic acid
• 英文别名: (Z)-4-(2,2-diethoxyethylamino)-4-oxobut-2-enoic acid
• CAS: 188985-06-0
• 化学式: C₁₀H₁₇NO₅
• 分子量: 231.249
• InChiKey: PMERDGLAXXJMIS-WAYWQWQTSA-N

物化性质

• 沸点：
  431.2±45.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2Z)-3-[(2,2-diethoxyethyl)carbamoyl]prop-2-enoic acid 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以36%的产率得到1-(2,2-diethoxyethyl)-1H-pyrrole-2,5-dione
  参考文献：
  名称：

  Synthese von neuen bifunktionellen Maleinimidverbindungen zur Herstellung von Chemoimmunokonjugaten

  摘要：

  Bifunctional maleimide compounds are suitable for binding small molecules to carrier proteins in that they bind to the sulfhydryl group of proteins through the double bond of the maleimide group and to molecules of low molecular weight (e.g. anticancer drugs) through a functional group X. 18 maleimide compounds of the general formula Maleimid-R-X (R = phenylene, benzyl-, methylene-, ethylene, or a m-benzoylethylamide group and X = hydroxp-, amino-, hydrazino-, carboxylic acid-, carboxylic anhydride-, carboxylic acid chloride-, carboxylic acid hydrazide-, oxycarbonylchloride-, aldehyde, keto-, or p-toluenesulfonate-group) were synthesized and characterized through H-1- and C-13-NMR-spectroscopy, elemental analysis, and mass spectrometry.

  DOI：

  10.1007/bf00807643
• 作为产物：
  描述：

  马来酸酐 、 氨基乙醛缩二乙醇 以 甲醇 、 丙酮 为溶剂， 反应 2.0h， 以90%的产率得到(2Z)-3-[(2,2-diethoxyethyl)carbamoyl]prop-2-enoic acid
  参考文献：
  名称：

  Synthese von neuen bifunktionellen Maleinimidverbindungen zur Herstellung von Chemoimmunokonjugaten

  摘要：

  Bifunctional maleimide compounds are suitable for binding small molecules to carrier proteins in that they bind to the sulfhydryl group of proteins through the double bond of the maleimide group and to molecules of low molecular weight (e.g. anticancer drugs) through a functional group X. 18 maleimide compounds of the general formula Maleimid-R-X (R = phenylene, benzyl-, methylene-, ethylene, or a m-benzoylethylamide group and X = hydroxp-, amino-, hydrazino-, carboxylic acid-, carboxylic anhydride-, carboxylic acid chloride-, carboxylic acid hydrazide-, oxycarbonylchloride-, aldehyde, keto-, or p-toluenesulfonate-group) were synthesized and characterized through H-1- and C-13-NMR-spectroscopy, elemental analysis, and mass spectrometry.

  DOI：

  10.1007/bf00807643