6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one | 1191058-01-1

• 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: 6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one
• 英文别名: 6-(pyridine-4-carbonyl)-5,13-dihydroisoquinolino[3,2-b]quinazolin-11-one
• CAS: 1191058-01-1
• 化学式: C₂₂H₁₅N₃O₂
• 分子量: 353.38
• InChiKey: LBMDOGDOWAVVQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one 、 碘乙烷 以 N,N-二甲基甲酰胺 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  Condensed isoquinolines 33*. Synthesis of 1′-R-spiro-[7H,8H-2a,7a-diazacyclopenta-[fg]naphthacene-2,4′-(1′H)-pyridine]-1,8(2H)-diones

  摘要：

  Heating 5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one with isonicotinoyl chloride in pyridine gives 6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one. The 1-alkyl-4[(11-oxo-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-6-yl)carbonyl]pyridinium iodides obtained by alkylation of 6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one using alkyl iodides in the presence of NaH are converted to 1'-R-spiro[7H,8H-2a,7a-diazacyclopenta[fg]naphthacene-2,4'(1'H)-pyridine]-1,8(2H)-diones. The chemical and spectroscopic properties of the spiro compounds obtained were studied.

  DOI：

  10.1007/s10593-009-0223-9
• 作为产物：
  描述：

  异烟酸酰氯 、 5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one 在 吡啶 作用下， 以68%的产率得到6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one
  参考文献：
  名称：

  Condensed isoquinolines 33*. Synthesis of 1′-R-spiro-[7H,8H-2a,7a-diazacyclopenta-[fg]naphthacene-2,4′-(1′H)-pyridine]-1,8(2H)-diones

  摘要：

  Heating 5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one with isonicotinoyl chloride in pyridine gives 6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one. The 1-alkyl-4[(11-oxo-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-6-yl)carbonyl]pyridinium iodides obtained by alkylation of 6-isonicotinoyl-5,13-dihydro-11H-isoquino[3,2-b]quinazolin-11-one using alkyl iodides in the presence of NaH are converted to 1'-R-spiro[7H,8H-2a,7a-diazacyclopenta[fg]naphthacene-2,4'(1'H)-pyridine]-1,8(2H)-diones. The chemical and spectroscopic properties of the spiro compounds obtained were studied.

  DOI：

  10.1007/s10593-009-0223-9