6-trifluoromethyl-2,3,4,5-tetrafluorobenzoic acid | 157337-86-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-trifluoromethyl-2,3,4,5-tetrafluorobenzoic acid
• 英文别名: perfluoro-2-methylbenzoic acid；2,3,4,5-tetrafluoro-6-(trifluoromethyl)benzoic acid
• CAS: 157337-86-5
• 化学式: C₈HF₇O₂
• 分子量: 262.084
• InChiKey: AROSFLLSZNFFFF-UHFFFAOYSA-N

物化性质

• 熔点：
  90.5-92 °C
• 沸点：
  221.9±40.0 °C(Predicted)
• 密度：
  1.720±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,1,3,3,4,5,6,7-八氟-1,3-二氢异苯并呋喃 在 五氟化锑 、 盐酸 作用下， 反应 2.0h， 以70%的产率得到6-trifluoromethyl-2,3,4,5-tetrafluorobenzoic acid
  参考文献：
  名称：

  Reaction of perfluorobenzocycloalkenes with SiO2-SbF5 and skeleton transformations of their carbonyl derivatives in SbF5 medium

  摘要：

  全氟苯并环丁烯和四氢萘与SiO2-SbF5反应，高产率地生成了它们的一碳和进一步的二碳衍生物。一碳衍生物在加热情况下与SbF5发生歧化反应，生成相应全氟苯并环烯和二酮。在SbF5介质中，一碳和二酮都容易发生骨架重排，生成含氧的五元和六元杂环化合物，以及/或底物中脂环片段的开环产物，并且从全氟苯并环丁烯酮化合物中也获得了碳原子数大于初始酮的产物。

  DOI：

  10.1134/s107042800802005x

文献信息

• 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME
  申请人：NIPPON SODA CO., LTD.

  公开号：EP0847977A1

  公开（公告）日：1998-06-17

  The present invention is to provide 2,3-dihalogeno-6-trifluoromethylbenzene derivatives represented by a general formula [I]; wherein X1 and X2 are the same or different and each independently represents fluoro or chloro; Y represents COOH, CONH2, CN, CHO, CH=NOH or COOR', wherein R' is C1-C4 alkyl, except the case that X1 and X2 are each chloro and Y is COOH, which are useful as the starting materials for producing pesticides, drugs and the like, and a process for producing such derivatives.

  本发明旨在提供通式[I]代表的 2,3-二卤代-6-三氟甲基苯衍生物； 其中X1和X2相同或不同，且各自独立地代表氟或氯；Y代表COOH、CONH2、CN、CHO、CH=NOH或COOR'，其中R'为C1-C4烷基，但X1和X2各自为氯且Y为COOH的情况除外，这些衍生物可用作生产农药、药物等的起始原料，以及生产此类衍生物的工艺。
• Oxygen replacement by fluorine in carbonyl derivatives of perfluoroaromatic compounds and isomerization of perfluoroindan-1,3-dione to perfluoro-3-methylenephthalide under the action of HF/SbF5
  作者：Yaroslav V. Zonov、Victor M. Karpov、Vyacheslav E. Platonov、Tatjana V. Rybalova、Yuri V. Gatilov

  DOI：10.1016/j.jfluchem.2006.08.006

  日期：2006.12

  When acted upon by HF/SbF5 at 95 degrees C, carbonyl groups of perfluorinated acetophenone (10), 3,4-dihydronaphthalen-1(2H)-one (8), 2,3-dihydronaphthalene-1,4-dione (9), benzocyclobutenone (6), benzocyclobutenedione (7) and indan-l-one (1) are converted into difluoromethylene groups to give the corresponding perfluoroaromatic products. Perfluoroindan-2-one (5), under the same conditions, is transformed to bis(perfluoroindan-2-yl) ether (21). On heating with HF/SbF5, perfluoroindan-1,3-dione (2) isomerizes into perfluoro-3-methylenephthalide (4) at 95 degrees C, and gives 4,5,6,7-tetrafluoro-3-trifluoromethyl-phthalide (14) at 130 degrees C. Compound 4 in the absence of a solvent dimerizes giving perfluorodispiro[phthalide-3,1 '-cyclobutane-2 ',3 ''-phthalide] (18), and when heated with SbF5 at 130 degrees C, it is converted into perfluoro-3-methylphthalide (3). When acted upon by HF/SbF5 at 95 degrees C, perfluorinated benzoic acid (12) and phthalic anhydride (13) give the corresponding products with trifluoromethyl groups. (c) 2006 Elsevier B.V. All rights reserved.
• PROCESS FOR THE PREPARATION OF METAL-ORGANIC FRAMEWORKS
  申请人：Bahnmuller Stefan

  公开号：US20080177098A1

  公开（公告）日：2008-07-24

  Process for the preparation of nanoscale metal-organic frameworks, and porous frameworks synthesized from at least one metal ion and at least one at least bidentate organic compound and a monodentate growth inhibitor.
• US6054605A
  申请人：——

  公开号：US6054605A

  公开（公告）日：2000-04-25
• US6054624A
  申请人：——

  公开号：US6054624A

  公开（公告）日：2000-04-25