(6-Chloro-2,5-dimethyl-pyrimidin-4-yl)-(2,4,6-trimethyl-phenyl)-methanone | 190084-80-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6-Chloro-2,5-dimethyl-pyrimidin-4-yl)-(2,4,6-trimethyl-phenyl)-methanone
• 英文别名: (6-chloro-2,5-dimethylpyrimidin-4-yl)-(2,4,6-trimethylphenyl)methanone
• CAS: 190084-80-1
• 化学式: C₁₆H₁₇ClN₂O
• 分子量: 288.777
• InChiKey: VWHZGBBNZTXMJU-UHFFFAOYSA-N

物化性质

• 沸点：
  374.8±42.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  42.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  双(2-甲氧基乙基)胺 、 (6-Chloro-2,5-dimethyl-pyrimidin-4-yl)-(2,4,6-trimethyl-phenyl)-methanone 生成 {6-[Bis-(2-methoxy-ethyl)-amino]-2,5-dimethyl-pyrimidin-4-yl}-(2,4,6-trimethyl-phenyl)-methanone
  参考文献：
  名称：

  Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor

  摘要：

  A series of benzoylpyrimidines derived from the anilinepyrimidine CRF1 antagonists were synthesized. Several synthetic routes were developed to explore the SAR of this series of compounds. Compounds such as 8d (K-i = 15 nM) exhibited high binding affinities at the human CRF1 receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.072
• 作为产物：
  描述：

  草酰丙酸二乙酯 在 sodium ethanolate 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (6-Chloro-2,5-dimethyl-pyrimidin-4-yl)-(2,4,6-trimethyl-phenyl)-methanone
  参考文献：
  名称：

  Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor

  摘要：

  A series of benzoylpyrimidines derived from the anilinepyrimidine CRF1 antagonists were synthesized. Several synthetic routes were developed to explore the SAR of this series of compounds. Compounds such as 8d (K-i = 15 nM) exhibited high binding affinities at the human CRF1 receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.072