2-(2,4-dichlorophenyl)-3-methylaniline | 620179-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,4-dichlorophenyl)-3-methylaniline
• CAS: 620179-00-2
• 化学式: C₁₃H₁₁Cl₂N
• 分子量: 252.143
• InChiKey: LBWXJCLPULBHJB-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±37.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2-(2,4-dichlorophenyl)-3-methylaniline 在 对甲苯磺酸 、 三氯氧磷 作用下， 以 二苯醚 、 苯 为溶剂， 生成 4-chloro-8-(2,4-dichlorophenyl)-2,7-dimethylquinoline
  参考文献：
  名称：

  Synthesis and SAR of 8-Arylquinolines as potent corticotropin-Releasing factor1 (CRF1) receptor antagonists

  摘要：

  A series of 4-substituted 8-aryl-2-methylquinolines 4 was designed and synthesized as highly potent antagonists for the human CRF1 receptor. This series of compounds displayed parallel SAR to other bicyclic systems such as pyrazolo[l,5-a]pyrimidines, with several compounds possessing low nanomolar binding affinity. In addition to the high potency, the basicity of this 4-aminoquinoline core may offer CRF1 antagonists with lower lipophilicity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00684-x
• 作为产物：
  描述：

  2-溴-3-甲基苯胺 、 2,4-二氯苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 生成 2-(2,4-dichlorophenyl)-3-methylaniline
  参考文献：
  名称：

  Synthesis and SAR of 8-Arylquinolines as potent corticotropin-Releasing factor1 (CRF1) receptor antagonists

  摘要：

  A series of 4-substituted 8-aryl-2-methylquinolines 4 was designed and synthesized as highly potent antagonists for the human CRF1 receptor. This series of compounds displayed parallel SAR to other bicyclic systems such as pyrazolo[l,5-a]pyrimidines, with several compounds possessing low nanomolar binding affinity. In addition to the high potency, the basicity of this 4-aminoquinoline core may offer CRF1 antagonists with lower lipophilicity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00684-x