methyl (2R)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate | 849240-74-0

• 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 (2R)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
• CAS: 849240-74-0
• 化学式: C₃₅H₃₆N₂O₇
• 分子量: 596.68
• InChiKey: ICRJSUDKDQTSDC-OOWIMERYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl (2R)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以78%的产率得到((R)-1-{(S)-1-Hydroxymethyl-2-[(4-methoxy-phenyl)-diphenyl-methoxy]-ethylcarbamoyl}-ethyl)-carbamic acid benzyl ester
  参考文献：
  名称：

  Synthesis of structural variants of Staphylococcus aureus lipoteichoic acid (LTA)

  摘要：

  Based on 1,2-O-isopropylidene-sn-glyerol, which is readily available from D-mannitol, five chiral building blocks for the construction of structural variants of Staphylococcus aureus LTA designed and synthesized. Ligation of these building blocks led readily to the target molecules 1 and 2. They demonstrated that the D-alanine residues at the glycerophosphate backbone are decisive for the activation of the immune system. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.11.070
• 作为产物：
  描述：

  N-benzyloxycarbonyl-D-alanine 在 吡啶 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 methyl (2R)-3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
  参考文献：
  名称：

  Synthesis of structural variants of Staphylococcus aureus lipoteichoic acid (LTA)

  摘要：

  Based on 1,2-O-isopropylidene-sn-glyerol, which is readily available from D-mannitol, five chiral building blocks for the construction of structural variants of Staphylococcus aureus LTA designed and synthesized. Ligation of these building blocks led readily to the target molecules 1 and 2. They demonstrated that the D-alanine residues at the glycerophosphate backbone are decisive for the activation of the immune system. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.11.070