6-氯-2-甲基-喹啉-3-羧酸 | 92513-40-1

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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
• 中文名称: 6-氯-2-甲基-喹啉-3-羧酸
• 英文名称: 6-chloro-2-methylquinoline-3-carboxylic acid
• CAS: 92513-40-1
• 化学式: C₁₁H₈ClNO₂
• mdl: MFCD06254736
• 分子量: 221.643
• InChiKey: BXNOWQXNZZNEJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  2-氨基-5-氯苯甲醛 、 乙酰乙酸甲酯 以 甲苯 为溶剂， 反应 24.0h， 以87%的产率得到6-氯-2-甲基-喹啉-3-羧酸
  参考文献：
  名称：

  Quinoline- and 1,8-naphthyridine-3-carboxylic acids using a self-catalyzed Friedländer approach

  摘要：

  One-step syntheses of 2-alkyl- and 2,4-dialkyl-substituted quinoline-3-carboxylic acids and 1,8-naphthyridine-3-carboxylic acids are reported using a catalyst-free Friedlander reaction. The reaction is carried out in one step by simple heating of 2-aminobenzaldehyde, 2-amino-5-chlorobenzaldehyde, 2-aminonicotinaldehyde, or 2-aminoacetophenone with a beta-ketoester in toluene or xylene for 24 h. Under these conditions, the carboxylic acid product is isolated directly from the reaction mixture without need for further purification. The observation that the reaction starts slowly and accelerates as it proceeds suggests that the transformation is self-catalyzed. This hypothesis is also supported by the finding that attempts to extend the current reaction to diketones, which cannot hydrolyze to an acid, were generally unsuccessful. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.04.010

文献信息

• Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors
  申请人：Gobbi Luca

  公开号：US20070197531A1

  公开（公告）日：2007-08-23

  The present invention relates to compounds of the general formula as dual modulators of the 5-HT 2a and D 3 receptors useful against CNS disorders, wherein A, R 1 , R 2 , n, p, q and r are as defined in the specification.

  本发明涉及一般公式的化合物，作为5-HT2a和D3受体的双重调节剂，用于对抗中枢神经系统疾病，其中A、R1、R2、n、p、q和r的定义如规范中所述。
• Hypoglycemic imidazoline compounds
  申请人：ELI LILLY AND COMPANY

  公开号：EP0924209B1

  公开（公告）日：2003-05-02
• US8039490B2
  申请人：——

  公开号：US8039490B2

  公开（公告）日：2011-10-18