4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine | 22370-28-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
• 英文别名: 4-(2,4-dichloro-phenoxy)-6-methyl-pyrimidin-2-ylamine；4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-amine
• CAS: 22370-28-1
• 化学式: C₁₁H₉Cl₂N₃O
• mdl: MFCD23146688
• 分子量: 270.118
• InChiKey: IXKXKZSMDOEYQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  427.8±55.0 °C(Predicted)
• 密度：
  1.429±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate 、 2,4-二氯酚 反应 1.0h， 以81%的产率得到4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
  参考文献：
  名称：

  General synthesis of 4-aryloxy-6-methylpyrimidin-2-amines and their fragmentation under positive electrospray ionization

  摘要：

  A number of 4-aryloxy-6-methylpyrimidin-2-amines were synthesized by reaction of 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate with phenols. The main fragmentation pathway of these compounds under positive electrospray ionization is decomposition of the heterocycle.

  DOI：

  10.1134/s1070428015100127

文献信息

• General synthesis of 4-aryloxy-6-methylpyrimidin-2-amines and their fragmentation under positive electrospray ionization
  作者：A. V. Erkin、O. S. Yuzikhin、V. I. Krutikov、Sh. S. Papinyan

  DOI：10.1134/s1070428015100127

  日期：2015.10

  A number of 4-aryloxy-6-methylpyrimidin-2-amines were synthesized by reaction of 2-amino-6-methylpyrimidin-4-yl 4-methylbenzenesulfonate with phenols. The main fragmentation pathway of these compounds under positive electrospray ionization is decomposition of the heterocycle.