(S)-1-[(2-Amino-ethylcarbamoyl)-methyl]-pyrrolidine-2-carboxylic acid (2-amino-ethyl)-amide | 849586-61-4

• 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: (S)-1-[(2-Amino-ethylcarbamoyl)-methyl]-pyrrolidine-2-carboxylic acid (2-amino-ethyl)-amide
• CAS: 849586-61-4
• 化学式: C₁₁H₂₃N₅O₂
• 分子量: 257.336
• InChiKey: JUUXKMUJHCCIDJ-VIFPVBQESA-N

物化性质

• 沸点：
  570.6±50.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  18.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  113.48
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-1-[(2-Amino-ethylcarbamoyl)-methyl]-pyrrolidine-2-carboxylic acid (2-amino-ethyl)-amide 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 (S)-1-({2-[(Anthracen-9-ylmethyl)-amino]-ethylcarbamoyl}-methyl)-pyrrolidine-2-carboxylic acid {2-[(anthracen-9-ylmethyl)-amino]-ethyl}-amide
  参考文献：
  名称：

  Synthesis and chiral recognition of novel chiral fluorescence receptors bearing 9-anthryl moieties

  摘要：

  Two chiral fluorescence receptors 1 and 2 have been synthesized, and their structures characterized by IR, H-1 NMR, MS spectra and elemental analysis. The chiral recognition of the receptors was studied by 1H NMR and fluorescence spectra. The results demonstrate that the receptors and tetrabutyl ammonium mandelate formed a 1:1 complex. Two receptors exhibit good chiral recognition abilities towards the enantiomers of tetrabutylammonium mandelate. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.12.023
• 作为产物：
  描述：

  L-脯氨酸甲酯 在 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 48.0h， 生成 (S)-1-[(2-Amino-ethylcarbamoyl)-methyl]-pyrrolidine-2-carboxylic acid (2-amino-ethyl)-amide
  参考文献：
  名称：

  Synthesis and chiral recognition of novel chiral fluorescence receptors bearing 9-anthryl moieties

  摘要：

  Two chiral fluorescence receptors 1 and 2 have been synthesized, and their structures characterized by IR, H-1 NMR, MS spectra and elemental analysis. The chiral recognition of the receptors was studied by 1H NMR and fluorescence spectra. The results demonstrate that the receptors and tetrabutyl ammonium mandelate formed a 1:1 complex. Two receptors exhibit good chiral recognition abilities towards the enantiomers of tetrabutylammonium mandelate. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.12.023