2-甲基-4,6-二氯嘧啶-5-甲腈 | 76574-36-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 2-甲基-4,6-二氯嘧啶-5-甲腈
• 中文别名: 4,6-二氯-2-甲基嘧啶-5-甲腈
• 英文名称: 4,6-dichloro-2-methyl-5-pyrimidinecarbonitrile
• 英文别名: 4,6-dichloro-2-methyl-pyrimidine-5-carbonitrile；4,6-Dichlor-2-methyl-pyrimidin-5-carbonitril；4,6-DICHLORO-2-methylpyRIMIDINE-5-CARBONITRILE
• CAS: 76574-36-2
• 化学式: C₆H₃Cl₂N₃
• mdl: MFCD07438040
• 分子量: 188.016
• InChiKey: WTCXSVBJUSNPOI-UHFFFAOYSA-N

物化性质

• 熔点：
  114-115 °C
• 沸点：
  317.4±37.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 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：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-甲基-4,6-二氯嘧啶-5-甲腈 在 镍 甲酸 、 氨 、 氢气 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 10.0h， 生成 6-(2,6-Dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidine-4,7-diamine
  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：

  4-hydroxy-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 生成 2-甲基-4,6-二氯嘧啶-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

• Budesinsky; Kopecky, Collection of Czechoslovak Chemical Communications, 1955, vol. 20, p. 52,56
  作者：Budesinsky、Kopecky

  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.