2-(2,6-dimethoxy-4-(methoxymethyl)phenoxy)-3-methylquinolin-5-amine | 1387636-59-0

• 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: 2-(2,6-dimethoxy-4-(methoxymethyl)phenoxy)-3-methylquinolin-5-amine
• CAS: 1387636-59-0
• 化学式: C₂₀H₂₂N₂O₄
• 分子量: 354.406
• InChiKey: FWOBMCITMYQCBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  75.83
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(2,6-dimethoxy-4-(methoxymethyl)phenoxy)-3-methylquinolin-5-amine 、 环己酮 在 2-methylpyridine borane complex 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 N-cyclohexyl-2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3-methylquinolin-5-amine
  参考文献：
  名称：

  Design, synthesis and structure–activity relationships of 5-alkylaminolquinolines as a novel series of CRF1 receptor antagonists

  摘要：

  A series of 5-alkylaminolquinolines was designed and synthesized as potential novel CRF1 receptor antagonists. The structure-activity relationships (SARs) of the substituents on each position (R-2, R-3, R-5 and R-5') were investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.066
• 作为产物：
  描述：

  2-(2,6-dimethoxy-4-(methoxymethyl)phenoxy)-3-methyl-5-nitroquinoline 在 palladium on activated charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 2-(2,6-dimethoxy-4-(methoxymethyl)phenoxy)-3-methylquinolin-5-amine
  参考文献：
  名称：

  Design, synthesis and structure–activity relationships of 5-alkylaminolquinolines as a novel series of CRF1 receptor antagonists

  摘要：

  A series of 5-alkylaminolquinolines was designed and synthesized as potential novel CRF1 receptor antagonists. The structure-activity relationships (SARs) of the substituents on each position (R-2, R-3, R-5 and R-5') were investigated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.066