[(S)-3-Methyl-1-(2,4,6-triethyl-3,5-bis-{[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoylamino]-methyl}-benzylcarbamoyl)-butyl]-carbamic acid 9H-fluoren-9-ylmethyl ester | 656231-59-3

• 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)-3-Methyl-1-(2,4,6-triethyl-3,5-bis-{[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoylamino]-methyl}-benzylcarbamoyl)-butyl]-carbamic acid 9H-fluoren-9-ylmethyl ester
• CAS: 656231-59-3
• 化学式: C₇₈H₉₀N₆O₉
• 分子量: 1255.61
• InChiKey: APXFOVVUEHPTSA-YREGAECOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.08
• 重原子数：
  93.0
• 可旋转键数：
  27.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  202.29
• 氢给体数：
  6.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  [(S)-3-Methyl-1-(2,4,6-triethyl-3,5-bis-{[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoylamino]-methyl}-benzylcarbamoyl)-butyl]-carbamic acid 9H-fluoren-9-ylmethyl ester 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Asymmetric enolate alkylation via templation with chiral synthetic receptors

  摘要：

  C-3-Symmetric chiral receptors have been developed for enantioselective alkylation of sodium enolates of active methylene compounds. It has been demonstrated that a 1:1 binding complex forms between these receptors and sodium enolates in THF-d(g)/CD3CN by H-1 NMR titration experiments. Moderate enantiomeric enrichment of the benzylation product of 2-acetylcyclohexanone has been demonstrated using this strategy. Templation of enolate alkylation by synthetic receptors represents a new approach to asymmetric induction. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.11.002
• 作为产物：
  描述：

  9H-芴-9-基甲基[(2S)-1-氯-4-甲基-1-氧代-2-戊烷基]氨基甲酸酯 、 1,3,5-三(氨基甲基)-2,4,6-三乙基苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [(S)-3-Methyl-1-(2,4,6-triethyl-3,5-bis-{[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoylamino]-methyl}-benzylcarbamoyl)-butyl]-carbamic acid 9H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Asymmetric enolate alkylation via templation with chiral synthetic receptors

  摘要：

  C-3-Symmetric chiral receptors have been developed for enantioselective alkylation of sodium enolates of active methylene compounds. It has been demonstrated that a 1:1 binding complex forms between these receptors and sodium enolates in THF-d(g)/CD3CN by H-1 NMR titration experiments. Moderate enantiomeric enrichment of the benzylation product of 2-acetylcyclohexanone has been demonstrated using this strategy. Templation of enolate alkylation by synthetic receptors represents a new approach to asymmetric induction. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.11.002