benzyl (2S)-2-(benzylamino)-3-methylbutanoate | 258826-44-7

• 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: benzyl (2S)-2-(benzylamino)-3-methylbutanoate
• CAS: 258826-44-7
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: RPUQDVGAWAQKPA-SFHVURJKSA-N

物化性质

• 沸点：
  409.1±33.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl (2S)-2-(benzylamino)-3-methylbutanoate 在 palladium on activated charcoal 氢气 作用下， 以 吡啶 、 乙醇 为溶剂， 反应 0.5h， 生成 N-Acetyl-N-benzyl-L-valine
  参考文献：
  名称：

  Novel Formation and Crystal Structure of 2-(2,2,2-Trifluoroethylidene)-6-trifluoro-methyl-2,3-dihydro-4H-1,4-oxazin-3-ones from N-Acetyl-N-alkyl-a-amino Acids

  摘要：

  The title compounds (2a-g) were formed from N-acetyl-N-alkyl-alpha-amino acids (la-g) on treatment with trifluoroacetic anhydride in the presence of pyridine. The structure of the product (2a) was determined by single crystal X-Ray analysis.

  DOI：

  10.3987/com-97-7936
• 作为产物：
  描述：

  N-Benzyliden-(S)-valin-benzylester 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 benzyl (2S)-2-(benzylamino)-3-methylbutanoate
  参考文献：
  名称：

  Novel Formation and Crystal Structure of 2-(2,2,2-Trifluoroethylidene)-6-trifluoro-methyl-2,3-dihydro-4H-1,4-oxazin-3-ones from N-Acetyl-N-alkyl-a-amino Acids

  摘要：

  The title compounds (2a-g) were formed from N-acetyl-N-alkyl-alpha-amino acids (la-g) on treatment with trifluoroacetic anhydride in the presence of pyridine. The structure of the product (2a) was determined by single crystal X-Ray analysis.

  DOI：

  10.3987/com-97-7936

文献信息

• Hungerhoff, Benno; Samanta, Subhendu S.; Roels, Jochen, Synlett, 2000, # 1, p. 77 - 79
  作者：Hungerhoff, Benno、Samanta, Subhendu S.、Roels, Jochen、Metz, Peter

  DOI：——

  日期：——
• Novel Formation and Crystal Structure of 2-(2,2,2-Trifluoroethylidene)-6-trifluoro-methyl-2,3-dihydro-4H-1,4-oxazin-3-ones from N-Acetyl-N-alkyl-a-amino Acids
  作者：Masami Kawase、Setsuo Saito、Hiroyuki Kikuchi、Hiroshi Miyamae

  DOI：10.3987/com-97-7936

  日期：——

  The title compounds (2a-g) were formed from N-acetyl-N-alkyl-alpha-amino acids (la-g) on treatment with trifluoroacetic anhydride in the presence of pyridine. The structure of the product (2a) was determined by single crystal X-Ray analysis.