p-methoxybenzoylaspartate

• 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: p-methoxybenzoylaspartate
• 英文别名: N-(4-methoxy-benzoyl)-aspartic acid；N-(4-Methoxy-benzoyl)-asparaginsaeure；(+/-)-(4-Methoxy-benzamino)-bernsteinsaeure；2-[(4-Methoxybenzoyl)amino]butanedioic acid
• 化学式: C₁₂H₁₃NO₆
• mdl: MFCD00573183
• 分子量: 267.238
• InChiKey: OXLZCZOLIPUEQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲酸甲酯 在 氢氧化钾 、 氯化亚砜 作用下， 生成 p-methoxybenzoylaspartate
  参考文献：
  名称：

  Salicyloylaspartate as an endogenous component in the leaves of Phaseolus vulgaris

  摘要：

  An amide conjugate of o-methoxybenzoic acid and aspartic acid has been isolated extraction and methylation of plant material, this compound was isolated as two isomeric monoethyl monomethyl esters. The ethylation of the aspartyl carboxyl groups was shown to be a likely result of an extraction procedure utilising acidified ethanol, the methylation of the aromatic hydroxy of the methoxy group to be due to the derivatisation procedure. Studies with pentafluorobenzylation confirmed that the endogenous compound is o-hydroxybenzoylaspartate.

  DOI：

  10.1016/0031-9422(91)83462-t

文献信息

• La Parola, Gazzetta Chimica Italiana, 1943, vol. 73, p. 94,97
  作者：La Parola

  DOI：——

  日期：——
• Salicyloylaspartate as an endogenous component in the leaves of Phaseolus vulgaris
  作者：David J. Bourne、Kevin D. Barrow、B.V. Milborrow

  DOI：10.1016/0031-9422(91)83462-t

  日期：1991.1

  An amide conjugate of o-methoxybenzoic acid and aspartic acid has been isolated extraction and methylation of plant material, this compound was isolated as two isomeric monoethyl monomethyl esters. The ethylation of the aspartyl carboxyl groups was shown to be a likely result of an extraction procedure utilising acidified ethanol, the methylation of the aromatic hydroxy of the methoxy group to be due to the derivatisation procedure. Studies with pentafluorobenzylation confirmed that the endogenous compound is o-hydroxybenzoylaspartate.