1-(carbethoxycyanomethylene)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | 91209-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(carbethoxycyanomethylene)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• CAS: 91209-76-6
• 化学式: C₁₆H₁₈N₂O₄
• 分子量: 302.33
• InChiKey: YFLBPUXEIIWRLS-UHFFFAOYSA-N

物化性质

• 沸点：
  477.1±45.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80.58
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  氯甲酸乙酯 、 1-carbamidomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以18%的产率得到1-carbethoxy-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido<6,1-a>isoquinoline-2,4-dione
  参考文献：
  名称：

  Trequinsin, a potent new antihypertensive vasodilator in the series of 2-(arylimino)-3-alkyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-4-ones

  摘要：

  Series of 3-substituted-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido [6,1-a]isoquinoline-2,4-diones and 2-substituted-9,10-dimethoxy-6,7-dihydro-4H-pyrimido [6,1-a]isoquinolin-4-ones were synthesized and tested for blood pressure lowering properties in anesthetized normotensive cats and conscious spontaneously hypertensive rats. Several compounds in the 2-(arylamino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido [6,1-a]isoquinolin-4-one series display a high order of activity. The most active compounds are the alkyl derivatives of the 2-mesitylamino/2-mesitylimino tautomeric forms. The 2-(mesitylimino)-3-methyl analogue trequinsin is a potent antihypertensive agent and displays a hemodynamic profile characteristic of an arteriolar dilator. It is also a potent inhibitor of both cAMP phosphodiesterase and platelet aggregation.

  DOI：

  10.1021/jm00377a016