4-chloro-8-(2,4-dichlorophenyl)-2,7-dimethylquinoline | 620179-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-chloro-8-(2,4-dichlorophenyl)-2,7-dimethylquinoline
• CAS: 620179-02-4
• 化学式: C₁₇H₁₂Cl₃N
• 分子量: 336.648
• InChiKey: KGRRZNZWDPCUFU-UHFFFAOYSA-N

物化性质

• 沸点：
  406.7±40.0 °C(Predicted)
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.48
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  双(2-甲氧基乙基)胺 、 4-chloro-8-(2,4-dichlorophenyl)-2,7-dimethylquinoline 在 对甲苯磺酸 作用下， 生成 [8-(2,4-Dichloro-phenyl)-2,7-dimethyl-quinolin-4-yl]-bis-(2-methoxy-ethyl)-amine
  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：

  在 三氯氧磷 作用下， 以 二苯醚 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