2-Chloro-4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidine | 219840-86-5

• 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-Chloro-4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidine
• 英文别名: 2-Chloro-6-(2-trifluoromethylphenyl)-4-methylpyrimidine；2-chloro-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
• CAS: 219840-86-5
• 化学式: C₁₂H₈ClF₃N₂
• mdl: MFCD12033035
• 分子量: 272.657
• InChiKey: DRKRMJPBAQPVGB-UHFFFAOYSA-N

物化性质

• 沸点：
  361.2±42.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Chloro-4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidine 在 sodium hydride 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 生成 N-(2-Bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-(trifluoromethyl)phenyl)-6-methyl-2-pyrimidineamine
  参考文献：
  名称：

  4-Aryl-2-anilinopyrimidines as corticotropin-releasing hormone (CRH) antagonists

  摘要：

  A series of 4-aryl-2-(N-ethylanilino)pyrimidines has been synthesized as corticotropin-releasing hormone (CRH) inhibitors. The effect of substitution on each aromatic ring on receptor binding was investigated. (C) 1999 DuPont Pharmaceuticals. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00132-8
• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 、 2-(三氟甲基)苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 苯 为溶剂， 生成 2-Chloro-4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidine
  参考文献：
  名称：

  4-Aryl-2-anilinopyrimidines as corticotropin-releasing hormone (CRH) antagonists

  摘要：

  A series of 4-aryl-2-(N-ethylanilino)pyrimidines has been synthesized as corticotropin-releasing hormone (CRH) inhibitors. The effect of substitution on each aromatic ring on receptor binding was investigated. (C) 1999 DuPont Pharmaceuticals. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00132-8

文献信息

• 4-Aryl-2-anilinopyrimidines as corticotropin-releasing hormone (CRH) antagonists
  作者：Anthony J. Cocuzza、Frank W. Hobbs、Charles R. Arnold、Dennis R. Chidester、Jerry A. Yarem、Steven Culp、Lawrence Fitzgerald、Paul J. Gilligan

  DOI：10.1016/s0960-894x(99)00132-8

  日期：1999.4

  A series of 4-aryl-2-(N-ethylanilino)pyrimidines has been synthesized as corticotropin-releasing hormone (CRH) inhibitors. The effect of substitution on each aromatic ring on receptor binding was investigated. (C) 1999 DuPont Pharmaceuticals. Published by Elsevier Science Ltd. All rights reserved.