2-Phenyl-4-methyl-Δ²-oxazolin-5-one | 90361-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Phenyl-4-methyl-Δ²-oxazolin-5-one
• 英文别名: 4-methyl-2-phenyl-1,3-oxazol-5(4H)-one；MPO；NoName_709；4-methyl-2-phenyl-1,3-oxazol-5-ol
• CAS: 90361-55-0
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: DTYLLVHYYGGIBK-UHFFFAOYSA-N

物化性质

• 沸点：
  330.3±34.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  3-乙酰基香豆素 、 2-Phenyl-4-methyl-Δ²-oxazolin-5-one 以80%的产率得到
  参考文献：
  名称：

  N-Substituted and N-unsubstituted 1,3-Oxazolium-5-olates cycloaddition reactions with 3-substituted coumarins

  摘要：

  The 1,3-dipolar cycloaddition reaction of unsymmetrically N-substituted and N-unsubstituted 1,3-oxazolium-5-olates with selected 3-substituted coumarins has been examined Various types of pyrrole derivatives are isolated and their formation seems to be a function of the regio- and diastereochemistry of the initial cycloaddition step (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.009
• 作为产物：
  描述：

  DL-α-benzoylalanin 在 乙酸酐 作用下， 反应 0.25h， 生成 2-Phenyl-4-methyl-Δ²-oxazolin-5-one
  参考文献：
  名称：

  Konwar, Dilip; Sandhu, Jagir S.; Baruah, J. N., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983, vol. 22, # 12, p. 1248 - 1249

  摘要：

  DOI：

文献信息

• Prajapati, Dipak; Sandhu, Jagir Singh; Baruah, Jogendra Nath, Heterocycles, 1984, vol. 22, # 2, p. 287 - 293
  作者：Prajapati, Dipak、Sandhu, Jagir Singh、Baruah, Jogendra Nath

  DOI：——

  日期：——
• N-Substituted and N-unsubstituted 1,3-Oxazolium-5-olates cycloaddition reactions with 3-substituted coumarins
  作者：Massimiliano Cordaro、Giovanni Grassi、Francesco Risitano、Angela Scala

  DOI：10.1016/j.tet.2010.02.009

  日期：2010.4

  The 1,3-dipolar cycloaddition reaction of unsymmetrically N-substituted and N-unsubstituted 1,3-oxazolium-5-olates with selected 3-substituted coumarins has been examined Various types of pyrrole derivatives are isolated and their formation seems to be a function of the regio- and diastereochemistry of the initial cycloaddition step (C) 2010 Elsevier Ltd All rights reserved
• Konwar, Dilip; Sandhu, Jagir S.; Baruah, J. N., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983, vol. 22, # 12, p. 1248 - 1249
  作者：Konwar, Dilip、Sandhu, Jagir S.、Baruah, J. N.

  DOI：——

  日期：——