N'-{2-[4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-phenyl]-acetyl}-hydrazinecarboxylic acid tert-butyl ester | 188985-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: N'-{2-[4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-phenyl]-acetyl}-hydrazinecarboxylic acid tert-butyl ester
• CAS: 188985-11-7
• 化学式: C₁₇H₁₉N₃O₅
• 分子量: 345.355
• InChiKey: WNMYFXTUUISOMW-UHFFFAOYSA-N

物化性质

• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  104.81
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 N'-{2-[4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-phenyl]-acetyl}-hydrazinecarboxylic acid tert-butyl ester 反应 1.33h， 以82%的产率得到
  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：

  2-(4-马来酰亚胺基苯基)乙酸 在 草酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 N'-{2-[4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-phenyl]-acetyl}-hydrazinecarboxylic acid tert-butyl ester
  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