(2S)-2-amino-3-[4-[(1R)-2-amino-1-hydroxyethyl]phenoxy]propan-1-ol | 929555-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2S)-2-amino-3-[4-[(1R)-2-amino-1-hydroxyethyl]phenoxy]propan-1-ol
• CAS: 929555-71-5
• 化学式: C₁₁H₁₈N₂O₃
• 分子量: 226.276
• InChiKey: VAWMIWRIOKXEBM-ONGXEEELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S)-2-amino-3-[4-[(1R)-2-amino-1-hydroxyethyl]phenoxy]propan-1-ol 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 吡啶 作用下， 以0.5 mg的产率得到[(2R)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]-3-[4-[(1R)-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]-1-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxyethyl]phenoxy]propyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Complete Structure Elucidation of Shishididemniols, Complex Lipids with Tyramine-Derived Tether and Two Serinol Units, from a Marine Tunicate of the Family Didemnidae

  摘要：

  Two new serinolipid derivatives, shishididemniols A (1) and B (2), were isolated as antibacterial constituents of a tunicate of the family Didemnidae. The structure of 1 was elucidated by interpretation of spectral data and the application of the modified Mosher method to 1 and its suitable degradation products. Compound 2 was the chlorohydrin of 1. Compounds 1 and 2 exhibited antibacterial activity against fish pathogenic bacterium Vibrio anguillarum.

  DOI：

  10.1021/jo062013m
• 作为产物：
  描述：

  shishididemniol A 在 肼 作用下， 反应 15.0h， 生成 (2S)-2-amino-3-[4-[(1R)-2-amino-1-hydroxyethyl]phenoxy]propan-1-ol
  参考文献：
  名称：

  Complete Structure Elucidation of Shishididemniols, Complex Lipids with Tyramine-Derived Tether and Two Serinol Units, from a Marine Tunicate of the Family Didemnidae

  摘要：

  Two new serinolipid derivatives, shishididemniols A (1) and B (2), were isolated as antibacterial constituents of a tunicate of the family Didemnidae. The structure of 1 was elucidated by interpretation of spectral data and the application of the modified Mosher method to 1 and its suitable degradation products. Compound 2 was the chlorohydrin of 1. Compounds 1 and 2 exhibited antibacterial activity against fish pathogenic bacterium Vibrio anguillarum.

  DOI：

  10.1021/jo062013m