1-carbamidomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | 91209-74-4

• 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-carbamidomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 1-(carbamoylmethylene)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline；1-Carbamoylmethylene-6,7-dimethoxy-3,4-dihydroisoquinoline；6,7-dimethoxy-1-carbamoylmethylene-1,2,3,4-tetrahydroisoquinoline；2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamide；(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)acetamide
• CAS: 91209-74-4
• 化学式: C₁₃H₁₆N₂O₃
• 分子量: 248.282
• InChiKey: RUUDFUZVWHZDGD-YFHOEESVSA-N

物化性质

• 沸点：
  506.2±50.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-carbamidomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 在 sodium ethanolate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 2-(2,6-Difluoro-phenylamino)-9,10-dimethoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
  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
• 作为产物：
  描述：

  2-oxo-9,10-dimethoxy-2,5,6,7-tetrahydropyrimido<4,3-a>isoquinoline 在 sodium hydroxide 作用下， 反应 3.0h， 以61%的产率得到1-carbamidomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  内酰胺和酰胺的缩醛。36.异喹啉系列烯胺的一些反应和嘧啶并[4,3-a]异喹啉的合成

  摘要：

  DOI：

  10.1007/bf00506592

文献信息

• Pyrimido (6,1-a)isoquinolin-4-one derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04482556A1

  公开（公告）日：1984-11-13

  What are disclosed are pyrimido (6,1-a)isoquinolin-4-one compounds useful as hypotensive agents, bronchodilators, and anti-allergenics, intermediates useful in their preparation, and methods for making the compounds and intermediates.

  披露的是嘧啶并[6,1-a]异喹啉-4-酮化合物，可用作降压剂、支气管扩张剂和抗过敏药物，以及其制备中有用的中间体，以及制备这些化合物和中间体的方法。
• Synthesis and pharmacological properties of some amidines and enamines of the isoquinoline series
  作者：V. F. Knyazeva、V. G. Granik、R. G. Glushkov、G. S. Arutyunyan

  DOI：10.1007/bf00765586

  日期：1981.5
• BANSI, LAL;DORNAUER, H.;BHATTACHARYA, BANI, KANTA;DOHADWALLA, ALI, HUSSEI+
  作者：BANSI, LAL、DORNAUER, H.、BHATTACHARYA, BANI, KANTA、DOHADWALLA, ALI, HUSSEI+

  DOI：——

  日期：——
• GRANIK, V. G.;KNYAZEVA, V. F.;PERSIANOVA, I. V.;SOLOVEVA, N. P.;GLUSHKOV,+, XIMIYA GETEROTSIKL. SOEDIN., 1982, N 8, 1095-1099
  作者：GRANIK, V. G.、KNYAZEVA, V. F.、PERSIANOVA, I. V.、SOLOVEVA, N. P.、GLUSHKOV,+

  DOI：——

  日期：——
• LAL, BANSI;DOHADWALLA, ALIHUSSEIN, NOMANBHAI;DADKAR, NANDKUMAR, KESHAV;DS+, J. MED. CHEM., 1984, 27, N 11, 1470-1480
  作者：LAL, BANSI、DOHADWALLA, ALIHUSSEIN, NOMANBHAI、DADKAR, NANDKUMAR, KESHAV、DS+

  DOI：——

  日期：——