2-(p-nitrophenyl)-4-benzyl-Δ2-oxazolone-5 | 345660-05-1

• 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: 2-(p-nitrophenyl)-4-benzyl-Δ2-oxazolone-5
• CAS: 345660-05-1
• 化学式: C₁₆H₁₂N₂O₄
• 分子量: 296.282
• InChiKey: UBQLEDZXHWCBOP-AWEZNQCLSA-N

物化性质

• 沸点：
  449.4±47.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  81.8
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N-p-nitrolbenzoyl-L-phenylalanine 在 三乙胺 、 间硝基苯甲酰氯 作用下， 生成 2-(p-nitrophenyl)-4-benzyl-Δ2-oxazolone-5
  参考文献：
  名称：

  Aromatic acid chlorides dosage with N-acyl-aminoacids in aprotic solvents by a spectrophotometric method

  摘要：

  The proposed method consists essentially in the treatment of an aromatic acid chloride solution with certain amounts of N-acyl-aminoacid as reagent. The mechanism of the colored chemical reaction is described here and the concentration of the aromatic acid chloride is determined on the basis of Bouguer-Lambert-Beer law. The results are discussed having in view the electrostatic interactions in the liquid solution in which the reaction takes place. The proposed method offers a high sensitivity, accuracy, easiness and quickness of the operations. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2010.04.001