3',5'-di-tert-butyl-6-chloro-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine-3-spiro-1'-cyclohexa-2',5'-dien-4'-one

• 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: 3',5'-di-tert-butyl-6-chloro-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine-3-spiro-1'-cyclohexa-2',5'-dien-4'-one
• 英文别名: 3',5'-DI-Tert-butyl-6-chloro-2-phenyl-2,4-dihydrospiro[1,4-benzoxazine-3,1'-cyclohexane]-2',5'-dien-4'-one；2',6'-ditert-butyl-6-chloro-2-phenylspiro[2,4-dihydro-1,4-benzoxazine-3,4'-cyclohexa-2,5-diene]-1'-one
• 化学式: C₂₇H₃₀ClNO₂
• 分子量: 435.994
• InChiKey: ACYKWABLGUABAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(2-Hydroxy-5-chlorophenylimino)-2,6-di-tert-butyl-2,5-cyclohexadien-1-one 在 potassium carbonate 作用下， 以 邻二甲苯 、 丙酮 为溶剂， 生成 3',5'-di-tert-butyl-6-chloro-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine-3-spiro-1'-cyclohexa-2',5'-dien-4'-one
  参考文献：
  名称：

  摘要：

  A new method was developed for synthesizing benzoxazine derivatives by O-alkylation or 2,6-ditert-butyl-4-(o-hydroxyphenylimino)-2,5-cyclohexadienones with allyl or benzyl halides and subsequent thermal heterocyclization of allyl or benzyl ethers thus formed. The cyclization of ethers derived from 2,6-ditert-butyl-4-(o-hydroxyphenylimino)-2,5-cyclohexadienones and phenacyl bromides or diethyl bromomalonate is so fast that these compounds cannot be isolated.

  DOI：

  10.1023/a:1012373722077

文献信息

• ——
  作者：S. V. Kurbatov、V. I. Simakov、N. I. Vikrishchuk、A. E. Ruzhnikov、Yu. A. Zhdanov、L. P. Olekhnovich

  DOI：10.1023/a:1012373722077

  日期：——

  A new method was developed for synthesizing benzoxazine derivatives by O-alkylation or 2,6-ditert-butyl-4-(o-hydroxyphenylimino)-2,5-cyclohexadienones with allyl or benzyl halides and subsequent thermal heterocyclization of allyl or benzyl ethers thus formed. The cyclization of ethers derived from 2,6-ditert-butyl-4-(o-hydroxyphenylimino)-2,5-cyclohexadienones and phenacyl bromides or diethyl bromomalonate is so fast that these compounds cannot be isolated.