2,6-Diamino-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester | 50698-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-Diamino-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
• 英文别名: 2,6-Diamino-4-(2-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester；diethyl 2,6-diamino-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 50698-27-6
• 化学式: C₁₈H₂₀F₃N₃O₄
• 分子量: 399.37
• InChiKey: UXMWTAPNLDTSHP-UHFFFAOYSA-N

物化性质

• 熔点：
  191 °C(mixture of isomers)
• 沸点：
  542.6±50.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  邻三氟甲基苯甲醛 、 3-氨基-3-亚氨基丙酸乙酯 以 乙醇 为溶剂， 反应 2.0h， 以2,6-diamino-4-(2-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester of m.p. 191° C. (ethanol) is obtained的产率得到2,6-Diamino-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  2,6-Diamino-1,4-dihydropyridine derivatives

  摘要：

  具有3-和5-位上的羰基功能，并在4-位上被低碳基，苯基，取代苯基或杂环基替代的2,6-二氨基-1,4-二氢吡啶是抗高血压药物和冠状血管扩张剂。这些化合物，其中2,6-二氨基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是代表性实施例，是通过将脒与醛或乙烯基氰乙酮酸酯缩合而制备的。

  公开号：

  US03950336A1

文献信息

• Use of 2,6-diamino-4-substituted-1,4-dihydropyridine-3,5-dicarboxylic
  申请人：Bayer Aktiengesellschaft

  公开号：US03957998A1

  公开（公告）日：1976-05-18

  2,6-Diamino-1,4-dihydropyridines bearing carbonyl functions in the 3- and 5-positions and being substituted in the 4-position by lower alkyl, phenyl, substituted phenyl or a heterocyclic group are antihypertensive agents and coronary vessel dilators. The compounds, of which 2,6-diamino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-diethyl ester is a representative embodiment, are prepared through condensation of an amidine with either an aldehyde or an ylidenecyanoacetoacetic acid ester.

  2,6-二氨基-1,4-二氢吡啶在3和5位带有羰基功能，且在4位被低级烷基，苯基，取代苯基或杂环基取代，是降压剂和冠状血管扩张剂。这些化合物，其中2,6-二氨基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是代表性的实施例，是通过将一种脲与醛或伊利丹氰乙酰乙酸酯缩合制备而成。
• 2,6-Diamino-1,4-dihydropyridine-3,5-dicarboxylic acid esters used as
  申请人：Bayer Aktiengesellschaft

  公开号：US03959474A1

  公开（公告）日：1976-05-25

  2,6-Diamino-1,4-dihydropyridines bearing carbonyl functions in the 3- and 5-positions and being substituted in the 4-position by lower alkyl, phenyl, substituted phenyl or a heterocyclic group are antihypertensive agents and coronary vessel dilators. The compounds, of which 2,6-diamino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-diethyl ester is a representative embodiment, are prepared through condensation of an amidine with either an aldehyde or an ylidenecyanoacetoacetic acid ester.

  在3和5位带有羰基功能并在4位被低碳链、苯基、取代苯基或杂环基取代的2,6-二氨基-1,4-二氢吡啶类化合物是抗高血压药物和冠状血管扩张剂。这些化合物通过将氨基嘧啶与醛或亚甲基丙烯腈乙酸酯缩合制备而成，其中2,6-二氨基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是代表性的实施例。
• Bicyclic derivatives of 1,4-dihydropyridine 3,5-carboxylic acid esters
  申请人：Bayer Aktiengesellschaft

  公开号：US03988458A1

  公开（公告）日：1976-10-26

  2,6-Diamino-1,4-dihydropyridines bearing carbonyl functions in the 3- and 5-positions and being substituted in the 4-position by lower alkyl, phenyl, substituted phenyl or a heterocyclic group are antihypertensive agents and coronary vessel dilators. The compounds, of which 2,6-diamino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-diethyl ester is a representative embodiment, are prepared through condensation of an amidine with either an aldehyde or an ylidenecyanoacetoacetic acid ester.

  在3-和5-位置带有羰基功能，并在4-位置被低烷基，苯基，取代苯基或杂环基所取代的2,6-二氨基-1,4-二氢吡啶是抗高血压药物和冠状血管扩张剂。这些化合物，其中2,6-二氨基-4-（3-硝基苯基）-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是代表性实施例，通过将氨基脲与醛或腈叶酰乙酸酯缩合而制备。
• 4-Quinoline and 4-isoquinoline derivatives of
  申请人：Bayer Aktiengesellschaft

  公开号：US04016277A1

  公开（公告）日：1977-04-05

  2,6-Diamino-1,4-dihydropyridines bearing carbonyl functions in the 3- and 5-positions and being substituted in the 4-position by lower alkyl, phenyl, substituted phenyl or a heterocyclic group are antihypertensive agents and coronary vessel dilators. The compounds, of which 2,6-diamino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-diethyl ester is a representative embodiment, are prepared through condensation of an amidine with either an aldehyde or an ylidenecyanoacetoacetic acid ester.

  具有羰基功能的2,6-二氨基-1,4-二氢吡啶，其3和5位被取代，4位被较低的烷基，苯基，取代的苯基或杂环基所取代，是抗高血压剂和冠状血管扩张剂。这些化合物，其中2,6-二氨基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是代表性实施例，是通过将氨基脲与醛或乙烯基氰乙酮酸酯缩合而制备的。
• 4-Quinoline and isoquinoline substituted 2,6-diamino-1,4-dihydropyridine
  申请人：Bayer Aktiengesellschaft

  公开号：US04049662A1

  公开（公告）日：1977-09-20

  2,6-Diamino-1,4-dihydropyridines bearing carbonyl functions in the 3- and 5-positions and being substituted in the 4-position by lower alkyl, phenyl, substituted phenyl or a heterocyclic group are antihypertensive agents and coronary vessel dilators. The compounds, of which 2,6-diamino-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-diethyl ester is a representative embodiment, are prepared through condensation of an amidine with either an aldehyde or an ylidenecyanoacetoacetic acid ester.

  3-和5-位带有羰基功能的2,6-二氨基-1,4-二氢吡啶，并在4-位被低烷基、苯基、取代苯基或杂环基取代，是降压剂和冠状血管扩张剂。这些化合物，其中2,6-二氨基-4-(3-硝基苯基)-1,4-二氢吡啶-3,5-二羧酸3,5-二乙酯是一个代表性的实施例，是通过将酰胺与醛或腈基乙酮酸酯缩合制备而成。