(S)-N-(2-Amino-ethyl)-2-{[(2-amino-ethylcarbamoyl)-methyl]-amino}-3-phenyl-propionamide | 849586-60-3

• 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)-N-(2-Amino-ethyl)-2-{[(2-amino-ethylcarbamoyl)-methyl]-amino}-3-phenyl-propionamide
• CAS: 849586-60-3
• 化学式: C₁₅H₂₅N₅O₂
• 分子量: 307.396
• InChiKey: ZHULXJGVJMRTPM-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.66
• 重原子数：
  22.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  122.27
• 氢给体数：
  5.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (S)-N-(2-Amino-ethyl)-2-{[(2-amino-ethylcarbamoyl)-methyl]-amino}-3-phenyl-propionamide 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 (S)-N-{2-[(Anthracen-9-ylmethyl)-amino]-ethyl}-2-[({2-[(anthracen-9-ylmethyl)-amino]-ethylcarbamoyl}-methyl)-amino]-3-phenyl-propionamide
  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-苯丙氨酸甲酯 在 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 48.0h， 生成 (S)-N-(2-Amino-ethyl)-2-{[(2-amino-ethylcarbamoyl)-methyl]-amino}-3-phenyl-propionamide
  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