benzyl-[2-chloro-6-(4-fluorophenyl)-pyrimidin-4-yl]methylamine

• 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: benzyl-[2-chloro-6-(4-fluorophenyl)-pyrimidin-4-yl]methylamine
• 英文别名: N-benzyl-2-chloro-6-(4-fluorophenyl)-N-methylpyrimidin-4-amine
• 化学式: C₁₈H₁₅ClFN₃
• 分子量: 327.789
• InChiKey: AJVNPFVEAGVCLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-(4-氟苯基)嘧啶 、 N-甲基苄胺 在 palladium diacetate 、 1,4-双(二苯基膦)丁烷 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以98%的产率得到benzyl-[2-chloro-6-(4-fluorophenyl)-pyrimidin-4-yl]methylamine
  参考文献：
  名称：

  A Highly Regioselective Amination of 6-Aryl-2,4-dichloropyrimidine

  摘要：

  A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine with aliphatic secondary amines and aromatic amines has been developed which strongly favors the formation of the C4-substituted product. The reactions with aliphatic amines are carried out using LiHMDS as the base and are catalyzed by Pd, while the aromatic amines require no catalyst.

  DOI：

  10.1021/ol052578p

文献信息

• A Highly Regioselective Amination of 6-Aryl-2,4-dichloropyrimidine
  作者：Zhi-Hui Peng、Michel Journet、Guy Humphrey

  DOI：10.1021/ol052578p

  日期：2006.2.1

  A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine with aliphatic secondary amines and aromatic amines has been developed which strongly favors the formation of the C4-substituted product. The reactions with aliphatic amines are carried out using LiHMDS as the base and are catalyzed by Pd, while the aromatic amines require no catalyst.