2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-5-nitroquinoline | 1395411-54-7

• 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-dimethyl-5-nitroquinoline
• 英文别名: 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-5-nitroquinoline
• CAS: 1395411-54-7
• 化学式: C₂₁H₂₂N₂O₆
• 分子量: 398.415
• InChiKey: PYWYVOCOJGZUAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 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：
  95.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-5-nitroquinoline 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 以83%的产率得到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
• 作为产物：
  描述：

  2-氯-3,8-二甲基喹啉 在 potassium phosphate 、 硝酸 、 palladium diacetate 、 2-二-叔丁膦基-2',4',6'-三异丙基联苯 作用下， 以 硫酸 、 甲苯 为溶剂， 生成 2-[2,6-Dimethoxy-4-(methoxymethyl)phenoxy]-3,8-dimethyl-5-nitroquinoline
  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