{(S)-1-[(S)-2-((S)-1-Hydroxymethyl-2,2-dimethyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester | 143961-93-7

• 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: {(S)-1-[(S)-2-((S)-1-Hydroxymethyl-2,2-dimethyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester
• CAS: 143961-93-7
• 化学式: C₂₄H₃₇N₃O₅
• 分子量: 447.575
• InChiKey: FDPAGVACLJSWRS-ZCNNSNEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  107.97
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {(S)-1-[(S)-2-((S)-1-Hydroxymethyl-2,2-dimethyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester 在 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 {(S)-1-[(S)-2-((S)-1-tert-Butyl-3,3,3-trifluoro-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  A method for the stereoselective synthesis of peptidyl trifluoromethyl ketones

  摘要：

  A method is described for the stereoselective preparation of peptidyl trifluoromethyl ketones which is centered around the addition of trifluoromethyl zinc iodide to a peptidyl aldehyde. Oxidation of the resulting alcohol with selected oxidants affords the corresponding ketone in greater than 99% isomeric purity.

  DOI：

  10.1016/s0040-4039(00)74238-9
• 作为产物：
  描述：

  L-叔亮氨醇 、 N-benzyloxycarbonyl-L-valyl-L-proline 在 N-甲基吗啉 、 氯甲酸异丁酯 作用下， 生成 {(S)-1-[(S)-2-((S)-1-Hydroxymethyl-2,2-dimethyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  A method for the stereoselective synthesis of peptidyl trifluoromethyl ketones

  摘要：

  A method is described for the stereoselective preparation of peptidyl trifluoromethyl ketones which is centered around the addition of trifluoromethyl zinc iodide to a peptidyl aldehyde. Oxidation of the resulting alcohol with selected oxidants affords the corresponding ketone in greater than 99% isomeric purity.

  DOI：

  10.1016/s0040-4039(00)74238-9