(1S,2S)-1-phenyl-2-trifluoroacetamidopropan-1,3-diol | 175690-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1S,2S)-1-phenyl-2-trifluoroacetamidopropan-1,3-diol
• CAS: 175690-17-2
• 化学式: C₁₁H₁₂F₃NO₃
• 分子量: 263.216
• InChiKey: LPJNCQSUGYGKMQ-IUCAKERBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.76
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.56
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (1S,2S)-1-phenyl-2-trifluoroacetamidopropan-1,3-diol 在 正丁基锂 、 Amberlyst A-27 、 四丁基氟化铵 、 二甲基氯化铝 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 77.75h， 生成
  参考文献：
  名称：

  Tietze, Lutz F.; Schneider, Christoph; Grote, Andrea, Chemistry - A European Journal, 1996, vol. 2, # 2, p. 139 - 148

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟乙酸乙酯 、 (1S,2S)-(+)-2-氨基-1-苯基-1,3-丙二醇 以 甲醇 为溶剂， 反应 15.0h， 以97%的产率得到(1S,2S)-1-phenyl-2-trifluoroacetamidopropan-1,3-diol
  参考文献：
  名称：

  Tietze, Lutz F.; Schneider, Christoph; Grote, Andrea, Chemistry - A European Journal, 1996, vol. 2, # 2, p. 139 - 148

  摘要：

  DOI：

文献信息

• Synthesis and Properties of Combinatorial Libraries of Phosphoramidates
  作者：Reza Fathi、M. Jonathan Rudolph、Robert G. Gentles、Rina Patel、Eric W. MacMillan、Michael S. Reitman、David Pelham、Alan F. Cook

  DOI：10.1021/jo960192+

  日期：1996.1.1

  We have assembled a set of combinatorial libraries of phosphoramidates for pharmacological evaluation. A range of functionalized and unfunctionalized diols, representing a variety of diversity elements, were converted into their corresponding dimethoxytrityl H-phosphonate derivatives which were coupled to each other to produce H-phosphonate dimers and trimers. The H-phosphonate diesters were converted into phosphoramidates by reaction with a wide range of primary and secondary amines. Very large libraries (theoretically, in excess of one million compounds) possessing five sites of diversity were generated for use in our drug discovery program. Smaller libraries with lower molecular weights were also prepared in which only two monomeric units were coupled together and converted into their phosphoramidate derivatives. Methods for the attachment of both radioactive and nonradioactive labels, including (32)phosphorus, tritium, and fluorescein, have been developed. Representative single sequences were also prepared and their chemical properties studied.
• Tietze, Lutz F.; Schneider, Christoph; Grote, Andrea, Chemistry - A European Journal, 1996, vol. 2, # 2, p. 139 - 148
  作者：Tietze, Lutz F.、Schneider, Christoph、Grote, Andrea

  DOI：——

  日期：——