4-phenyl-2-p-tolyl-5(4H)-oxazolone | 63013-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-phenyl-2-p-tolyl-5(4H)-oxazolone
• 英文别名: 5-Oxazolol, 2-(4-methylphenyl)-4-phenyl-；2-(4-methylphenyl)-4-phenyl-1,3-oxazol-5-ol
• CAS: 63013-19-4
• 化学式: C₁₆H₁₃NO₂
• 分子量: 251.285
• InChiKey: RNYBZPWXUKRKIM-UHFFFAOYSA-N

物化性质

• 沸点：
  427.1±47.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-phenyl-2-p-tolyl-5(4H)-oxazolone 在 Rose Bengal on Amberlite IRA-400 、 氧气 作用下， 以 苯 为溶剂， 反应 9.0h， 以12%的产率得到4,4'-bis<4-phenyl-2-p-tolyl-5(4H)-oxazolone>
  参考文献：
  名称：

  Photochemical and Thermal Reactions of Heterocycles. IV. Phooto-oxidation Reactions of Mesoionic Dithioliumolate, Thiazoliumolate, and Related Heterocycles. Solvent Effects of the Course of the Photo-oxidation

  摘要：

  DOI：

  10.3987/r-1987-05-1313

文献信息

• 5(4H)-Oxazolones. Part XI. Cycloaddition reaction of oxazolones and münchnones to triphenylvinylphosphonium salts as synthetic equivalents of alkynes
  作者：Francesca Clerici、Maria Luisa Gelmi、Pasqualina Trimarco

  DOI：10.1016/s0040-4020(98)00264-6

  日期：1998.5

  5(4H)-Oxazolones 1 and munchnones 3 are reacted with triphenylvinylphosphonium bromide 2a to give, through a cycloaddition reaction, pyrrole derivatives 4a-d and 7a-c unsubstituted at C-3 and C-4. The use of substituted vinylphosphonium salts 2b,c and dipoles 1 and 3 allows the isolation of 3-methylpyrroles 4e,f and 7d,e and 3-pyrrolecarboxylic acids 9a-c, respectively. The cycloaddition reactions proceed with high regioselectivity because of the positive interaction of phosphonium group of 2 and carbonyl group of dipoles 1 and 3. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.
• Photochemical and Thermal Reactions of Heterocycles. IV. Phooto-oxidation Reactions of Mesoionic Dithioliumolate, Thiazoliumolate, and Related Heterocycles. Solvent Effects of the Course of the Photo-oxidation
  作者：Hiroshi Kato、Kazue Tani、Haruki Kurumisawa、Yoshiko Tamura

  DOI：10.3987/r-1987-05-1313

  日期：——