(S)-4,5-Dioxo-2-(2,2,2-trifluoro-acetylamino)-pentanoic acid isopropyl ester | 269085-55-4

• 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)-4,5-Dioxo-2-(2,2,2-trifluoro-acetylamino)-pentanoic acid isopropyl ester
• 英文别名: propan-2-yl (2S)-4,5-dioxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
• CAS: 269085-55-4
• 化学式: C₁₀H₁₂F₃NO₅
• 分子量: 283.204
• InChiKey: HNDYSPNASRRXFU-ZETCQYMHSA-N

物化性质

• 沸点：
  349.3±42.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  89.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙醛酸甲酯 、 (S)-4,5-Dioxo-2-(2,2,2-trifluoro-acetylamino)-pentanoic acid isopropyl ester 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 生成 5-[(S)-2-Isopropoxycarbonyl-2-(2,2,2-trifluoro-acetylamino)-ethyl]-1H-imidazole-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis of amino acid-derived imidazoles from enantiopure N-protected α-amino glyoxals

  摘要：

  A range of novel imidazoles, including three histidine derivatives, with chiral side chains derived from amino acids and dipeptides have been synthesised from N-Cbz-protected alpha-amino glyoxals. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02267-4
• 作为产物：
  描述：

  (S)-5-Diazo-4-oxo-2-(2,2,2-trifluoro-acetylamino)-pentanoic acid isopropyl ester 在 二甲基二环氧乙烷 作用下， 以 丙酮 为溶剂， 生成 (S)-4,5-Dioxo-2-(2,2,2-trifluoro-acetylamino)-pentanoic acid isopropyl ester
  参考文献：
  名称：

  Synthesis of amino acid-derived imidazoles from enantiopure N-protected α-amino glyoxals

  摘要：

  A range of novel imidazoles, including three histidine derivatives, with chiral side chains derived from amino acids and dipeptides have been synthesised from N-Cbz-protected alpha-amino glyoxals. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02267-4

文献信息

• Synthesis of amino acid-derived imidazoles from enantiopure N-protected α-amino glyoxals
  作者：Michelle Groarke、M.Anthony McKervey、Mark Nieuwenhuyzen

  DOI：10.1016/s0040-4039(99)02267-4

  日期：2000.2

  A range of novel imidazoles, including three histidine derivatives, with chiral side chains derived from amino acids and dipeptides have been synthesised from N-Cbz-protected alpha-amino glyoxals. (C) 2000 Elsevier Science Ltd. All rights reserved.