methyl (2S)-2-[[2,4,6-triethyl-3,5-bis[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]phenyl]methylamino]propanoate | 1228315-97-6

• 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: methyl (2S)-2-[[2,4,6-triethyl-3,5-bis[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]phenyl]methylamino]propanoate
• CAS: 1228315-97-6
• 化学式: C₂₇H₄₅N₃O₆
• 分子量: 507.671
• InChiKey: VROVZJKZRASUIC-BZSNNMDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  L-丙氨酸甲酯盐酸盐 、 1,3,5-三(溴甲基)-2,4,6-三乙基苯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以80%的产率得到methyl (2S)-2-[[2,4,6-triethyl-3,5-bis[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]phenyl]methylamino]propanoate
  参考文献：
  名称：

  Evaluation of Amino Acids as Chiral Ligands for the Enantiodifferentiation of Carbohydrates by TOCSY NMR

  摘要：

  The use of natural amino acids as chiral ligands on a triethylbenzene scaffold for the binding and enantiodifferentiation of carbohydrates has resulted in moderate affinity and selectivity values for glucose. Selective I D TOCSY experiments revealed this as a powerful titration technology surpassing the severe overlapping of receptor and carbohydrate signals in H-1 NMR spectra.

  DOI：

  10.1021/jo1004263

文献信息

• Evaluation of Amino Acids as Chiral Ligands for the Enantiodifferentiation of Carbohydrates by TOCSY NMR
  作者：Francisco Fernández-Trillo、Eduardo Fernandez-Megia、Ricardo Riguera

  DOI：10.1021/jo1004263

  日期：2010.6.4

  The use of natural amino acids as chiral ligands on a triethylbenzene scaffold for the binding and enantiodifferentiation of carbohydrates has resulted in moderate affinity and selectivity values for glucose. Selective I D TOCSY experiments revealed this as a powerful titration technology surpassing the severe overlapping of receptor and carbohydrate signals in H-1 NMR spectra.