3(2H)-Isoquinolinone, 6,7-dimethoxy-1-phenyl- | 89721-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-phenyl-
• 英文别名: 6,7-dimethoxy-1-phenyl-2H-isoquinolin-3-one
• CAS: 89721-03-9
• 化学式: C₁₇H₁₅NO₃
• 分子量: 281.311
• InChiKey: FQOADBVXWHBYPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3(2H)-Isoquinolinone, 6,7-dimethoxy-1-phenyl- 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 0.33h， 生成 6,7-Dimethoxy-4-nitro-1-phenyl-isoquinolin-3-ol
  参考文献：
  名称：

  Isoquinolinol derivatives: potent, short-acting inotropic and vasodilating agents with potential utility for cardiac emergencies

  摘要：

  The synthesis and cardiovascular evaluation of a series of 4-nitroisoquinolin-3-ol derivatives are reported. These compounds are potent, short-acting cardiovascular agents with both positive inotropic and peripheral vasodilating effects when administered intravenously. Compounds with this profile could be of particular therapeutic benefit in cardiac emergencies such as severe late stage heart failure and myocardial infarction. Of particular interest is 7-ethoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-ol (6) which has potent, non beta-adrenergic parenteral inotropic properties similar to those of dopamine, and also has peripheral vasodilator activity, up to 10-fold greater than amrinone.

  DOI：

  10.1016/0223-5234(91)90023-g
• 作为产物：
  描述：

  3,4-二甲氧基苯乙酸甲酯 在 三氯化铝 、 乙醇 、 氨 作用下， 生成 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-phenyl-
  参考文献：
  名称：

  Bentley et al., Journal of the Chemical Society, 1952, p. 1763,1766

  摘要：

  DOI：

文献信息

• Synthesis of isoquinolines from 2-phenylethylamines, amides, nitriles and carboxylic acids in polyphosphoric acid
  作者：Atanas P. Venkov、Ilian I. Ivanov

  DOI：10.1016/0040-4020(96)00716-8

  日期：1996.9

  A convenient one pot synthesis of 1-. 1.3-substituted 3.4-dihydroisoquinolines 5. enamines 10 and 3-oxo-2,3-dihydroisoquinolines 18 as well as of enamides 22 of isoquinoline from 2-phenyl-. 1,2-diphenylethylamines, phenylacetamides, phenylacetonitriles, N-acylphenylethyl-amines and carboxylic acids in nonaqueous media has been accomplished.

  方便的一锅合成1-。1.3-取代的3.4-二氢异喹啉5。烯胺10和3-氧代-2，3-二氢异喹啉18以及2-苯基-异喹啉的酰胺22。非水介质中的1,2-二苯乙胺，苯乙酰胺，苯乙腈，N-酰基苯乙胺和羧酸已经完成。
• Synthesis of 3-Oxo-2,3-Dihydroisoquinolines from Ethyl 2-Acylphenylacetates and Formamides
  作者：A. P. Venkov、I. I. Ivanov

  DOI：10.1080/00397919408011710

  日期：1994.4

  1- and 1,3-substituted 3-oxo-2,3-dihydroisoquinolines 4 are obtained from ethyl 2-acylphenylacetates 3 and formamides.