methyl 6,8-di-tert-butyl-3,4-dimethoxy-10H-phenoxazine-1-carboxylate | 695224-59-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: methyl 6,8-di-tert-butyl-3,4-dimethoxy-10H-phenoxazine-1-carboxylate
• 英文别名: methyl 6,8-ditert-butyl-3,4-dimethoxy-10H-phenoxazine-1-carboxylate
• CAS: 695224-59-0
• 化学式: C₂₄H₃₁NO₅
• mdl: MFCD04060719
• 分子量: 413.514
• InChiKey: NVGJKBOKIRSZEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  反应 1.0h， 以0.62 g的产率得到methyl 6,8-di-tert-butyl-3,4-dimethoxy-10H-phenoxazine-1-carboxylate
  参考文献：
  名称：

  3,5-Di-tert-butyl-1,2-benzoquinone in the synthesis of quinolino[4,5-bc][1,5]benzoxazepines, aminophenols, and phenoxazines

  摘要：

  Reaction of 3,5-di-tert-butyl-1,2-benzoquinone with 5-amino-4-chloroquinolines gave derivatives of a new fused heterocyclic system, substituted quinolino[4,5-bc][1,5]benzoxazepines. The molecular structure of 9,11-di-tert-butyl-2,4,6-trimethyl-7H-quinolino[4,5-bc][1,5]benzoxazepine was determined by X-ray analysis. 3,5-Di-tert-butyl-1,2-benzoquinone reacted with o-nitro-, o-acyl-, and o-methoxycarbonylanilines and some amino-substituted nitrogen-containing heterocycles to form the corresponding sterically hindered N-aryl-(hetaryl)-o-aminophenols. Di-tert-butyl-substituted phenoxazines were obtained as a result of thermal cyclization of intermediately formed quinone imines.

  DOI：

  10.1134/s1070428009030178