2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine | 114790-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine
• 英文别名: propan-2-yl 6-methyl-4-(2-nitrophenyl)-2-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylate
• CAS: 114790-93-1
• 化学式: C₁₆H₁₆F₃N₃O₄
• 分子量: 371.316
• InChiKey: CLEVDGWYUSAKPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  26.0
• 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：
  93.83
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine 以 氘代苯 为溶剂， 生成 2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine
  参考文献：
  名称：

  On the tautomerism of dihydropyrimidines: the influence of the 2- and 5-substituents on the observation of tautomers

  摘要：

  DOI：

  10.1021/ja00222a054
• 作为产物：
  描述：

  2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine 以 氘代苯 为溶剂， 生成 2-(trifluoromethyl)-5-(isopropoxycarbonyl)-6-methyl-4-(2-nitrophenyl)-1,4(3,4)-dihydropyrimidine
  参考文献：
  名称：

  On the tautomerism of dihydropyrimidines: the influence of the 2- and 5-substituents on the observation of tautomers

  摘要：

  DOI：

  10.1021/ja00222a054

文献信息

• Dihydropyrimidines: novel calcium antagonists with potent and long-lasting vasodilative and anti-hypertensive activity
  作者：Hidetsura Cho、Masaru Ueda、Keiyuu Shima、Akira Mizuno、Mariko Hayashimatsu、Yoshiko Ohnaka、Yumi Takeuchi、Mikiko Hamaguchi、Kazuo Aisaka

  DOI：10.1021/jm00130a029

  日期：1989.10

  The novel calcium antagonists 3-N-substituted-3,4-dihydropyrimidines 1 and 9 and 3-N-substituted-dihydro-pyrimidin-2(1H)-ones 8 were regioselectively synthesized in good yields. Compounds 1 [especially 1s [R1 = (CH2)2N(benzyl)(2-naphthylmethyl), R2 = i-Pr, X = 0-NO2] and 1t [R1 = (CH2)2N(benzyl)(3,4-dichlorobenzyl), R2 = i-Pr, X = 0-NO2]] exhibited not only more potent and longer lasting vasodilative action but also a hypotensive activity with slow onset as compared with dihydropyridines. Moreover, some dihydropyrimidines [1q [R1 = (CH2)2N(benzyl)(3-phenylpropyl), R2 = CH2(cyclopropyl), X = 0-NO2], 1s, and 1t] were weaker in blocking atrioventricular conduction in anesthetized open-chest dogs and less toxic than the dihydropyridines.
• CHO, HIDETSURA;UEDA, MASARU;SHIMA, KEIYUU;MIZUNO, AKIRA;HAYASHIMATSU, MAR+, J. MED. CHEM., 32,(1989) N0, C. 2399-2406
  作者：CHO, HIDETSURA、UEDA, MASARU、SHIMA, KEIYUU、MIZUNO, AKIRA、HAYASHIMATSU, MAR+

  DOI：——

  日期：——
• TE, SYUREHN;UEHDA, MASARU;MIDZUNO, AKIRA;XAMAGUTI, MIKIKO
  作者：TE, SYUREHN、UEHDA, MASARU、MIDZUNO, AKIRA、XAMAGUTI, MIKIKO

  DOI：——

  日期：——