2-hydroxy-3-methyl-4-oxopentanoic acid ethyl ester | 891858-05-2

• 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: 2-hydroxy-3-methyl-4-oxopentanoic acid ethyl ester
• 英文别名: Ethyl 2-hydroxy-3-methyl-4-oxopentanoate
• CAS: 891858-05-2
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: UJBGDHMTJMGQQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  2-hydroxy-3-methyl-4-oxopentanoic acid ethyl ester 在 盐酸羟胺 、 二甲基亚砜 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 乙基4,5-二甲基-1,2-恶唑-3-羧酸酯
  参考文献：
  名称：

  Short and efficient preparations of isoxazole-3-carboxylic acid and imino-oxopentanoic acid potent precursors of 4-hydroxyisoleucine

  摘要：

  Herein, we describe short and efficient syntheses of isoxazole-3-carboxylic acid 3a and imino-oxopentanoic acid 8 achiral precursors of 4-hydroxyisoleucine. The developed procedures involve readily available and cheap starting materials and can easily be transposed to the large scale. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.02.056
• 作为产物：
  描述：

  3-acetyl-2-hydroxybut-3-enoic acid ethyl ester 在 Lindlar's catalyst 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以85%的产率得到2-hydroxy-3-methyl-4-oxopentanoic acid ethyl ester
  参考文献：
  名称：

  Short and efficient preparations of isoxazole-3-carboxylic acid and imino-oxopentanoic acid potent precursors of 4-hydroxyisoleucine

  摘要：

  Herein, we describe short and efficient syntheses of isoxazole-3-carboxylic acid 3a and imino-oxopentanoic acid 8 achiral precursors of 4-hydroxyisoleucine. The developed procedures involve readily available and cheap starting materials and can easily be transposed to the large scale. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.02.056

文献信息

• Short and efficient preparations of isoxazole-3-carboxylic acid and imino-oxopentanoic acid potent precursors of 4-hydroxyisoleucine
  作者：Jean-Michel Becht、Sandra De Lamo Marin、Martine Maruani、Alain Wagner、Charles Mioskowski

  DOI：10.1016/j.tet.2006.02.056

  日期：2006.5

  Herein, we describe short and efficient syntheses of isoxazole-3-carboxylic acid 3a and imino-oxopentanoic acid 8 achiral precursors of 4-hydroxyisoleucine. The developed procedures involve readily available and cheap starting materials and can easily be transposed to the large scale. (c) 2006 Elsevier Ltd. All rights reserved.