4-氨基-2-(三氟甲基)嘧啶-5-甲腈 | 943-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氨基-2-(三氟甲基)嘧啶-5-甲腈
• 英文名称: 2-trifluoromethyl-5-cyano-6-aminopyrimidine
• 英文别名: 4-amino-2-trifluoromethyl-pyrimidine-5-carbonitrile；4-Amino-2-trifluormethyl-pyrimidin-5-carbonitril；4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile
• CAS: 943-25-9
• 化学式: C₆H₃F₃N₄
• mdl: MFCD08436637
• 分子量: 188.112
• InChiKey: RRFXQMOBTKMHNK-UHFFFAOYSA-N

物化性质

• 熔点：
  245-246 °C (sublm)(Solv: methanol (67-56-1))
• 沸点：
  242.4±40.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4-氨基-2-(三氟甲基)嘧啶-5-甲腈 在 镍 甲酸 、 氢气 作用下， 反应 3.0h， 生成 2-三氟甲基-4-氨基嘧啶-5-醛
  参考文献：
  名称：

  Antihypertensive activity of 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives

  摘要：

  A series of 51 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives was prepared and evaluated for antihypertensive activity in the conscious spontaneously hypertensive rat. A number of these compounds, notably 6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine (36), lowered blood pressure in these rats in a gradual and sustained manner to normotensive levels at oral doses of 10-50 mg/kg. Normalized blood pressure levels could then be maintained by single daily oral doses. The effect of structural variation in the 6-aryl group and in the 2 and 4 positions of the pyridopyrimidine ring on activity is reported and discussed.

  DOI：

  10.1021/jm00136a006
• 作为产物：
  描述：

  2,2,2-trifluoroacetimidamide hydrochloride 、 乙氧基亚甲基丙二腈 在 乙醇 、 sodium 作用下， 反应 2.0h， 生成 4-氨基-2-(三氟甲基)嘧啶-5-甲腈
  参考文献：
  名称：

  Antihypertensive activity of 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives

  摘要：

  A series of 51 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives was prepared and evaluated for antihypertensive activity in the conscious spontaneously hypertensive rat. A number of these compounds, notably 6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine (36), lowered blood pressure in these rats in a gradual and sustained manner to normotensive levels at oral doses of 10-50 mg/kg. Normalized blood pressure levels could then be maintained by single daily oral doses. The effect of structural variation in the 6-aryl group and in the 2 and 4 positions of the pyridopyrimidine ring on activity is reported and discussed.

  DOI：

  10.1021/jm00136a006

文献信息

• Synthesis of fluorine-containing tetrasubstituted pyrimidines from 1-cyano-2-chloro-2-trifluoromethylethylenes
  作者：A. Ya. Il'chenko、V. I. Krokhtyak、L. M. Yagupol'skii

  DOI：10.1007/bf00507001

  日期：1981.12
• 2-Trifluoromethylpyrimidines¹
  作者：JOHN A. BARONE、EARL PETERS、HOWARD TIECKELMANN

  DOI：10.1021/jo01084a012

  日期：1959.2
• ILCHENKO, A. YA.;KROXTYAK, V. I.;YAGUPOLSKIJ, L. M., XIMIYA GETEROTSIKL. SOEDIN., 1981, N 12, 1680-1681
  作者：ILCHENKO, A. YA.、KROXTYAK, V. I.、YAGUPOLSKIJ, L. M.

  DOI：——

  日期：——
• Antihypertensive activity of 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives
  作者：Lawrence R. Bennett、C. John Blankley、Robert W. Fleming、Ronald D. Smith、Deirdre K. Tessman

  DOI：10.1021/jm00136a006

  日期：1981.4

  A series of 51 6-arylpyrido[2,3-d]pyrimidin-7-amine derivatives was prepared and evaluated for antihypertensive activity in the conscious spontaneously hypertensive rat. A number of these compounds, notably 6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine (36), lowered blood pressure in these rats in a gradual and sustained manner to normotensive levels at oral doses of 10-50 mg/kg. Normalized blood pressure levels could then be maintained by single daily oral doses. The effect of structural variation in the 6-aryl group and in the 2 and 4 positions of the pyridopyrimidine ring on activity is reported and discussed.