2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethylquinolin-5-amine | 1395411-55-8

• 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]-3,8-dimethylquinolin-5-amine
• 英文别名: 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethylquinolin-5-amine
• CAS: 1395411-55-8
• 化学式: C₂₁H₂₄N₂O₄
• 分子量: 368.433
• InChiKey: NSXIHJIYPZLTHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethylquinolin-5-amine 、 丙醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-N,N-dipropylquinolin-5-amine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists

  摘要：

  We designed and synthesized a series of 2-Ar-8-methyl-5-alkylaminolquinolines as potent corticotropin-releasing factor 1 (CRF1) receptor antagonists. The structure-activity relationships of substituents at each position (R-3, R-5, R-5', and R-8) was investigated. By derivatization, three compounds (6, 14b, and 14c) were identified as orally active CRF1 receptor antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.047
• 作为产物：
  描述：

  2-chloro-3,8-dimethyl-5-nitroquinoline 在 potassium phosphate 、 palladium diacetate 、 铁粉 、 氯化铵 、 2-二-叔丁膦基-2',4',6'-三异丙基联苯 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成 2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethylquinolin-5-amine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists

  摘要：

  We designed and synthesized a series of 2-Ar-8-methyl-5-alkylaminolquinolines as potent corticotropin-releasing factor 1 (CRF1) receptor antagonists. The structure-activity relationships of substituents at each position (R-3, R-5, R-5', and R-8) was investigated. By derivatization, three compounds (6, 14b, and 14c) were identified as orally active CRF1 receptor antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.047