N-((S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-6-aminohexanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-((S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-6-aminohexanoic acid
• 英文别名: 6-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]hexanoic acid
• 化学式: C₁₂H₂₃NO₅
• 分子量: 261.318
• InChiKey: WIBRTSNRTOPKSU-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (S)-(+)-泛解酸内酯 、 6-氨基己酸 在 四甲基胍 作用下， 以 甲醇 为溶剂， 反应 40.0h， 以99%的产率得到N-((S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-6-aminohexanoic acid
  参考文献：
  名称：

  Application of 1,1,3,3-tetramethylguanidine in the reaction of amino acids with pantolactone

  摘要：

  1,1,3,3-Tetramethylguanidium salts of selected amino acids were reacted with (R)- or (S)-pantolactone to gave (R)- or (S)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)aminoacids, respectively. No racemisation of the amino acids, and only a slight racemisation of the pantolactone was observed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.06.005

文献信息

• Application of 1,1,3,3-tetramethylguanidine in the reaction of amino acids with pantolactone
  作者：Marek Włostowski、Tomasz Rowicki、Ludwik Synoradzki

  DOI：10.1016/j.tetasy.2004.06.005

  日期：2004.8

  1,1,3,3-Tetramethylguanidium salts of selected amino acids were reacted with (R)- or (S)-pantolactone to gave (R)- or (S)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)aminoacids, respectively. No racemisation of the amino acids, and only a slight racemisation of the pantolactone was observed. (C) 2004 Elsevier Ltd. All rights reserved.