4-Oxo-4a,8-dichlor-2,3,4,4a,5,6,7,8-octahydrochinazolin-2-spirocyclohexan

• 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: 4-Oxo-4a,8-dichlor-2,3,4,4a,5,6,7,8-octahydrochinazolin-2-spirocyclohexan
• 英文别名: 4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one；4a,8-dichlorospiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
• 化学式: C₁₃H₁₈Cl₂N₂O
• 分子量: 289.205
• InChiKey: ASJBUOKNTTYTBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  螺[1,3,5,6,7,8-六氢喹唑啉-2,1'-环己烷]-4-酮 在 sodium hypochlorite 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以93%的产率得到4-Oxo-4a,8-dichlor-2,3,4,4a,5,6,7,8-octahydrochinazolin-2-spirocyclohexan
  参考文献：
  名称：

  Heterocyclenbildung mit Enaminen

  摘要：

  Aminoacrylderivatives (1) and Br2/NH4SCN form iminothiazolinones 3 a-c and with chlorosulfonylisocyanate thiadiazinonedioxide 8. Reaction of 3 a with hydrazine yields disulfide 6. Compound 2 and PCl3 yield diazaphosphorines 7 a-c. By reaction of pyrimidinone 9 with NaOCl, HCl/H2O2 or Br2/NH4SCN dichloropyrimidinone 10, dichlorooxaziridine 16, and thiocyanate 13 are formed. Octahydroquinazolinone (17) and NaOCl or H2O2/HCl form chloroderivatives 18, 19 and 20, 18 with peracid oxaziridine 22. Compounds 16, 21, 22 and 13 with NaOCl form N-chloroderivatives 23, 24, 25 and 26 resp.

  DOI：

  10.1002/prac.19923340813

文献信息

• Heterocyclenbildung mit Enaminen
  作者：Christian Bischoff、Edith Schr�der

  DOI：10.1002/prac.19923340813

  日期：——

  Aminoacrylderivatives (1) and Br2/NH4SCN form iminothiazolinones 3 a-c and with chlorosulfonylisocyanate thiadiazinonedioxide 8. Reaction of 3 a with hydrazine yields disulfide 6. Compound 2 and PCl3 yield diazaphosphorines 7 a-c. By reaction of pyrimidinone 9 with NaOCl, HCl/H2O2 or Br2/NH4SCN dichloropyrimidinone 10, dichlorooxaziridine 16, and thiocyanate 13 are formed. Octahydroquinazolinone (17) and NaOCl or H2O2/HCl form chloroderivatives 18, 19 and 20, 18 with peracid oxaziridine 22. Compounds 16, 21, 22 and 13 with NaOCl form N-chloroderivatives 23, 24, 25 and 26 resp.