5-methoxy-3-methyl-2-oxopentanoic acid | 81235-85-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 5-methoxy-3-methyl-2-oxopentanoic acid
• 英文别名: 5-Methoxy-3-methyl-2-oxopentanoic acid
• CAS: 81235-85-0
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: BENJIBCXNMZMML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxy-3-methyl-2-oxopentanoic acid 在 formate dehydrogenase 、 1,4-dihydronicotinamide adenine dinucleotide 、 leucine dehydrogenase 、 甲酸铵 作用下， 生成 (S)-2-Amino-5-methoxy-3-methyl-pentanoic acid
  参考文献：
  名称：

  Synthesis of probes for the active site of leucine dehydrogenase

  摘要：

  A series of novel 3-substituted 2-oxobutanoic acids were prepared and incubated with leucine dehydrogenase giving in one case both a kinetic resolution at C-3 and reductive amination of the ketone. This is the first example of an amino acid dehydrogenase catalysed kinetic resolution and reductive amination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00297-8
• 作为产物：
  描述：

  α-甲基-γ-丁内酯 在 4-二甲氨基吡啶 、 lipase (Candida rugosa) 、 臭氧 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 5-methoxy-3-methyl-2-oxopentanoic acid
  参考文献：
  名称：

  Synthesis of probes for the active site of leucine dehydrogenase

  摘要：

  A series of novel 3-substituted 2-oxobutanoic acids were prepared and incubated with leucine dehydrogenase giving in one case both a kinetic resolution at C-3 and reductive amination of the ketone. This is the first example of an amino acid dehydrogenase catalysed kinetic resolution and reductive amination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00297-8

文献信息

• Synthesis of probes for the active site of leucine dehydrogenase
  作者：Andrew Sutherland、Christine L. Willis

  DOI：10.1016/s0960-894x(99)00297-8

  日期：1999.7

  A series of novel 3-substituted 2-oxobutanoic acids were prepared and incubated with leucine dehydrogenase giving in one case both a kinetic resolution at C-3 and reductive amination of the ketone. This is the first example of an amino acid dehydrogenase catalysed kinetic resolution and reductive amination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.