1,1,3,3-tetramethyl-3a,4-dihydro-3H-oxazolo[4,3-b]quinazolin-9-one | 1206158-95-3

• 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: 1,1,3,3-tetramethyl-3a,4-dihydro-3H-oxazolo[4,3-b]quinazolin-9-one
• 英文别名: 1,1,3,3-Tetramethyl-3a,4-dihydro-[1,3]oxazolo[4,3-b]quinazolin-9-one；1,1,3,3-tetramethyl-3a,4-dihydro-[1,3]oxazolo[4,3-b]quinazolin-9-one
• CAS: 1206158-95-3
• 化学式: C₁₄H₁₈N₂O₂
• 分子量: 246.309
• InChiKey: CMBAKTWDUAGONL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻氨基苯甲酸 、 2,2,5,5-tetramethyl-2,5-dihydro-oxazole 在 氯化亚砜 作用下， 以 苯 为溶剂， 以28%的产率得到1,1,3,3-tetramethyl-3a,4-dihydro-3H-oxazolo[4,3-b]quinazolin-9-one
  参考文献：
  名称：

  Synthesis of different types of valerolactams starting from 2,5-dihydrooxazoles

  摘要：

  Tricyclic valerolactams characterized by a variable heteroatom in gamma-position, for example, sulfur, oxygen or nitrogen, were synthesized starting from 2,5-dihydrooxazoles. The chosen synthetic procedures included the addition of thiosalicylic acid as well as the addition of salicyl chloride. The nitrogen containing lactams were prepared in a cycloaddition and subsequent oxidation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.107

文献信息

• Synthesis of different types of valerolactams starting from 2,5-dihydrooxazoles
  作者：Katharina Johannes、Jürgen Martens

  DOI：10.1016/j.tet.2009.10.107

  日期：2010.1

  Tricyclic valerolactams characterized by a variable heteroatom in gamma-position, for example, sulfur, oxygen or nitrogen, were synthesized starting from 2,5-dihydrooxazoles. The chosen synthetic procedures included the addition of thiosalicylic acid as well as the addition of salicyl chloride. The nitrogen containing lactams were prepared in a cycloaddition and subsequent oxidation. (C) 2009 Elsevier Ltd. All rights reserved.