2-氯-5-氟-1,3-二甲苯 | 14994-16-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-5-氟-1,3-二甲苯
• 中文别名: 2,6-二甲基-4-氟氯苯
• 英文名称: 1-chloro-4-fluoro-2,6-dimethylbenzene
• 英文别名: 2-chloro-5-fluoro-1,3-dimethylbenzene；4-chloro-1-fluoro-3,5-dimethylbenzene；5-Fluor-2-chlor-1,3-dimethyl-benzol；4-Chlor-3,5-dimethyl-fluorbenzol；Chlor-fluor-xylol
• CAS: 14994-16-2
• 化学式: C₈H₈ClF
• 分子量: 158.603
• InChiKey: MVJOCJGXPDHQEN-UHFFFAOYSA-N

物化性质

• 沸点：
  63-64 °C(Press: 10 Torr)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  6-methyl-4,5,6,7-tetrahydrofuro<2,3-c>pyridine-4-ol 、 2-氯-5-氟-1,3-二甲苯 生成 4-(4-Chloro-3,5-dimethylphenyloxy)-6-methyl-4,5,6,7-tetrahydrofuro[2,3-c] pyridine hydrochloride
  参考文献：
  名称：

  HETEROARYL DERIVATIVES

  摘要：

  本发明涉及一种由公式[1]表示的化合物或其药学上可接受的盐： 在公式[1]中，X和Y中的一个是CH，另一个是氧或硫；R是氢等；Z是氢等；Ar是苯等；n为1或2，m为1或2，不包括n为2且m为2的化合物。还提供了一种药物组合物，其包括公式[1]的化合物或其药学上可接受的盐作为活性成分。该组合物可作为预防或治疗抑郁症、惊恐障碍、焦虑症、强迫症、慢性疼痛、纤维肌痛、肥胖症、压力性尿失禁和过度活动膀胱的药物。

  公开号：

  US20100048537A1
• 作为产物：
  描述：

  4-氟-2,6-二甲基苯胺 生成 2-氯-5-氟-1,3-二甲苯
  参考文献：
  名称：

  Substituent Effects. IX.¹ H and ¹⁹F Nuclear Magnetic Resonance Spectra of 4-Substituted 3,5-Dimethylfluorobenzenes²

  摘要：

  DOI：

  10.1021/ja00978a039

文献信息

• Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo&lsqb;3.3.0&rsqb;oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith
  申请人：Bayer Aktiengesellschaft

  公开号：US06288081B1

  公开（公告）日：2001-09-11

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in position 7 by a 1-aminomethyl-2-oxa-7-azabicyclo[3.3.0]oct-7-yl radical, and of their salts for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders.

  该发明涉及使用在位置7被1-氨基甲基-2-氧-7-氮代双环[3.3.0]辛-7-基取代的喹诺酮和萘啶酮羧酸衍生物，以及它们的盐用于治疗幽门螺杆菌感染和相关的胃十二指肠疾病。
• Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic
  申请人：Bayer Aktiengesellschaft

  公开号：US06133260A1

  公开（公告）日：2000-10-17

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in the 7-position by a 2-oxa-5,8-diazabicyclo[4.3.0]-non-8-yl) radical, and their pharmaceutically utilizable hydrates and/or salts for the therapy of Helicobacter pylori infections and the gastroduodenal disorders associated therewith.

  该发明涉及使用在7位被2-氧杂-5,8-二氮杂双环[4.3.0]-壬-8-基基团取代的喹诺酮和萘啶酮羧酸衍生物，以及它们的药用水合物和/或盐来治疗幽门螺杆菌感染及相关的胃十二指肠疾病。
• 3-cyano-2,4,5-trifluoro-benzoyl fluoride and intermediate products for the production thereof
  申请人：Bayer Aktiengesellschaft

  公开号：US06229040B1

  公开（公告）日：2001-05-08

  The present invention relates to 3-cyano-2,4,5-trifluorobenzoyl fluoride and to intermediates for its preparation and to the process for the preparation of 3-cyano-2,4,5-trifluoro-benzoyl fluoride, which starts from 5 fluoro-1,3-xylene (VIII); which is bichlorinated in the ring in the presence of a catalyst under ionic conditions to give 2,4-dichloro-5-fluoro-1,3 dimethylbenzene (VII). The latter is chlorinated in the side chains under free-radical conditions to give 2,4-dichloro-5-fluoro-3-dichloromethyl-1 trichloromethylbenzene (VI). The latter is hydrolyzed via 2,4-dichloro-5-fluoro-3-dichloromethylbenzoic acid (V), which can be isolated if necessary, to give 2,4-dichloro-5-fluoro-3-formyl-benzoic acid (IV), the aldehyde group of which is reacted to give 2,4-dichloro-5-fluoro-3-N-hydroxyiminomethyl-benzoic acid (III), from which, with simultaneous conversion of the carboxyl group into the chlorocarbonyl group, water is eliminated using an acid chloride to give the nitrile 2,4-dichloro-3-cyano-5 fluoro-benzoyl chloride (II). Finally the nitrile is subjected to fluorine/chlorine exchange.

  本发明涉及3-氰基-2,4,5-三氟苯甲酰氟及其制备中间体以及制备3-氰基-2,4,5-三氟苯甲酰氟的过程，该过程始于5-氟-1,3-二甲基苯（VIII），在离子条件下催化环中二氯化，得到2,4-二氯-5-氟-1,3-二甲基苯（VII）。后者在自由基条件下侧链氯化，得到2,4-二氯-5-氟-3-二氯甲基-1-三氯甲基苯（VI）。后者通过2,4-二氯-5-氟-3-二氯甲基苯甲酸（V）水解，必要时可以分离出，得到2,4-二氯-5-氟-3-甲酰基苯甲酸（IV），其醛基反应生成2,4-二氯-5-氟-3-N-羟基亚甲基苯甲酸（III），从中通过同时将羧基转化为氯羰基，使用酸氯化物消除水，得到腈2,4-二氯-3-氰基-5-氟苯甲酰氯（II）。最后，腈经过氟/氯交换。
• Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders
  申请人：——

  公开号：US20010036941A1

  公开（公告）日：2001-11-01

  The invention relates to the use of quinolone- and naphthyridonecarboxylic acid derivatives which are substituted in position 7 by a 1-aninomethyl-2-oxa-7-azabicyclo[3.3.0]oct-7-yl radical, and of their salts for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders.

  本发明涉及使用在第7位被1-氨甲基-2-氧杂-7-氮杂双环[3.3.0]辛-7-基基团取代的喹诺酮和萘啶酮羧酸衍生物及其盐，用于治疗幽门螺杆菌感染和相关的胃十二指肠疾病。
• 3-Cyano-2,4,5-trifluorobenoxyl fluoride and intermediate products for the production thereof
  申请人：——

  公开号：US20040167350A1

  公开（公告）日：2004-08-26

  The present invention relates to 3-cyano-2,4,5-trifluoro-benzoyl fluoride and to intermediates for its preparation and to the process for the preparation of 3-cyano-2,4,5-trifluoro-benzoyl fluoride, which starts from 5-fluoro-1,3-xylene (VIII); which is bichlorinated in the ring in the presence of a catalyst under ionic conditions to give 2,4-dichloro-5-fluoro-1,3-dimethylbenzene (VII). The latter is chlorinated in the side chains under free-radical conditions to give 2,4-dichloro-5-fluoro-3-dichloromethyl-1-trichloromethylbenzene (VT). The latter is hydrolysed via 2,4-dichloro-5-fluoro-3-dichloromethylbenzoic acid (V), which can be isolated if necessary, to give 2,4-dichloro-5-fluoro-3-formyl-benzoic acid (IV), the aldehyde group of which is reacted to give 2,4-dichloro-5-fluoro-3-N-hydroxyiminomethyl-benzoic acid (III), from which, with simultaneous conversion of the carboxyl group into the chlorocarbonyl group, water is eliminated using an acid chloride to give the nitrile 2,4-dichloro-3-cyano-5-fluoro-benzoyl chloride (II). Finally, the nitrile is subjected to fluorine/chlorine exchange.

  本发明涉及3-氰基-2,4,5-三氟苯甲酰氟和其制备的中间体，以及制备3-氰基-2,4,5-三氟苯甲酰氟的方法。该方法从5-氟-1,3-二甲基苯（VIII）开始，该化合物在离子条件下存在催化剂的情况下在环上进行二氯化反应，得到2,4-二氯-5-氟-1,3-二甲基苯（VII）。然后，在自由基条件下，对其进行侧链氯化反应，得到2,4-二氯-5-氟-3-二氯甲基-1-三氯甲基苯（VT）。然后，通过水解2,4-二氯-5-氟-3-二氯甲基苯甲酸（V，必要时可分离）得到2,4-二氯-5-氟-3-甲酰基苯甲酸（IV），其醛基反应得到2,4-二氯-5-氟-3-N-羟基亚甲基苯甲酸（III），通过同时将羧基转化为氯甲酰基，使用酸氯化物消除水，得到腈2,4-二氯-3-氰基-5-氟苯甲酰氯（II）。最后，对腈进行氟/氯交换。