2-Hydroxy-2-phenyl-hexanedioic acid 1-methyl ester | 334927-86-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2-Hydroxy-2-phenyl-hexanedioic acid 1-methyl ester
• CAS: 334927-86-5
• 化学式: C₁₃H₁₆O₅
• 分子量: 252.267
• InChiKey: JCCYGGODSQKIDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.83
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-2-phenyl-hexanedioic acid 1-methyl ester 在 sodium hydroxide 作用下， 生成 2-hydroxy-2-phenylhexanedioic acid
  参考文献：
  名称：

  Catalytic aerobic oxidative decarboxylation of α-hydroxy-acids. Methyl mandelate as a benzoyl anion equivalent

  摘要：

  The monomeric square-planar cobalt(III) complex of bis-N,N'-disubstituted oxamides catalyses the oxidative decarboxylation of alpha-hydroxy acids with molecular oxygen/pivalaldehyde with very good yields. This reaction offers an interesting alternative in the use of methyl mandelate as a convenient benzoyl anion equivalent. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00482-1
• 作为产物：
  描述：

  4-溴丁酸 、 DL-扁桃酸甲酯 在 lithium diisopropyl amide 作用下， 生成 2-Hydroxy-2-phenyl-hexanedioic acid 1-methyl ester
  参考文献：
  名称：

  Catalytic aerobic oxidative decarboxylation of α-hydroxy-acids. Methyl mandelate as a benzoyl anion equivalent

  摘要：

  The monomeric square-planar cobalt(III) complex of bis-N,N'-disubstituted oxamides catalyses the oxidative decarboxylation of alpha-hydroxy acids with molecular oxygen/pivalaldehyde with very good yields. This reaction offers an interesting alternative in the use of methyl mandelate as a convenient benzoyl anion equivalent. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00482-1