| 1191058-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 1191058-02-2
• 化学式: C₂₃H₁₈N₃O₂*I
• 分子量: 495.319
• InChiKey: LLCJQHPZQIOMGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.17
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  54.98
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82%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：

  生成
  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