(S)-2-Phenyl-butyric acid (R)-1-(4-oxo-3,4-dihydro-quinazolin-2-yl)-ethyl ester | 143287-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (S)-2-Phenyl-butyric acid (R)-1-(4-oxo-3,4-dihydro-quinazolin-2-yl)-ethyl ester
• 英文别名: [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (2S)-2-phenylbutanoate
• CAS: 143287-99-4
• 化学式: C₂₀H₂₀N₂O₃
• 分子量: 336.39
• InChiKey: MZQFXFUEMDXDRF-HIFRSBDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  S(+)-2-苯基丁酸 、 (-)-(S)-2-(α-Hydroxyethyl)-4(3H)-quinazolinone 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 (S)-2-Phenyl-butyric acid (R)-1-(4-oxo-3,4-dihydro-quinazolin-2-yl)-ethyl ester
  参考文献：
  名称：

  Nitrogen containing metabolites of fusarium sambucinum

  摘要：

  2-(1-Hydroxyethyl)-quinazolin-4(3H)-one (chrysogine, 7), 2-pyruvylaminobenzamide (8), 2-acetylquinazolin-4 (3H)-one (9) and N-carbobenzoxy-L-phenylalanilol (10) have been isolated from cultures ot Fusarium sambucinum. The absolute configuration of 7 was determined by the use of the Helmchen method. 2-Acetylquinazolin-4(3H)-one (9) is probably an artefact originating from 8. It is doubleful whether compound 10 is a genuine metabolite.

  DOI：

  10.1016/0040-4039(92)88083-h

文献信息

• Nitrogen containing metabolites of fusarium sambucinum
  作者：Daniel Niederer、Christoph Tamm、Werner Zürcher

  DOI：10.1016/0040-4039(92)88083-h

  日期：1992.7

  2-(1-Hydroxyethyl)-quinazolin-4(3H)-one (chrysogine, 7), 2-pyruvylaminobenzamide (8), 2-acetylquinazolin-4 (3H)-one (9) and N-carbobenzoxy-L-phenylalanilol (10) have been isolated from cultures ot Fusarium sambucinum. The absolute configuration of 7 was determined by the use of the Helmchen method. 2-Acetylquinazolin-4(3H)-one (9) is probably an artefact originating from 8. It is doubleful whether compound 10 is a genuine metabolite.