28314-81-0

Basic information

• Product Name: 3-bromo-2,6-difluorobenzoic acid
• Synonyms: 3-bromo-2,6-difluorobenzoic acid;Benzoic acid, 3-broMo-2,6-difluoro-;3-Bromo-2,6-difluorobenzoic acid 96%
• CAS NO: 28314-81-0
• Molecular Formula: C₇H₃BrF₂O₂
• Molecular Weight: 237.01
• Mol File: 28314-81-0.mol

Chemical Properties

• Melting Point: 137-139℃
• Boiling Point: 279℃
• Flash Point: 123℃
• Appearance: /
• Density: 1.872
• Vapor Pressure: 0.00194mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-bromo-2,6-difluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-2,6-difluorobenzoic acid(28314-81-0)
• EPA Substance Registry System: 3-bromo-2,6-difluorobenzoic acid(28314-81-0)

Safety Data

• Hazardous Substances Data: 28314-81-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-bromo-2,6-difluorobenzoic acid is used as an intermediate in the synthesis of pharmaceutical compounds for various therapeutic applications. Its unique chemical structure allows for the development of new drugs with potential benefits in treating a range of medical conditions.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3-bromo-2,6-difluorobenzoic acid serves as a key building block for the creation of more complex molecules with specific properties. Its reactivity and structural features make it a valuable component in the synthesis of advanced materials and specialty chemicals.
Used in Material Science:
3-bromo-2,6-difluorobenzoic acid is utilized in material science as a component in the development of novel materials with tailored properties. Its incorporation into polymers and other materials can enhance their performance, making them suitable for use in various applications, such as electronics, coatings, and adhesives.
Used in Research and Development:
As a versatile compound, 3-bromo-2,6-difluorobenzoic acid is employed in research and development for the exploration of new chemical reactions, mechanisms, and applications. Its unique properties make it an interesting subject for scientific investigation, potentially leading to breakthroughs in various fields.

InChI:InChI=1/C7H3BrF2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H,11,12)

Upstream product

• 109-72-8 n-butyllithium 
• 348-57-2 2,4-difluorobromobenzene 
• 64248-56-2 1-bromo-2,6-difluorobenzene 
• 124-38-9 carbon dioxide 

Downstream Products

• 721446-29-3 tert-butyl (3-bromo-2,6-difluorophenyl)carbamate 
• 1263376-89-1 3-bromo-2,6-difluorobenzoyl chloride 
• 385-00-2 2,6-difluorobenzoic acid 

Relevant articles and documents

Compounds and Compositions as Protein Kinase Inhibitors

The present invention provides compounds of Formula I or II: wherein R1, R1b, R2, R3, R4, R5, R6 and R7 are defined herein. The compounds of Formula (I) or (II) and pharmaceutical compositions thereof are useful for the treatment of B-Raf-associated diseases.

COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS

The invention provides a novel class of compounds of formula 1, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated kinase activity, particularly diseases or disorders that involve abnormal activation of B-Raf.

BENZOXAZEPINE DERIVATIVES AND USE THEREOF

Compounds represented by the general formula (I): wherein each symbol is as defined in the description [with the proviso that 9-chloro-7-(1,1-dimethylethyl)-2,3,4,5-tetrahydro-1,4-benz-oxazepine and N-[[(5S)-2-oxo-3-(2,3,4,5-tetrahydro-1,4-benz-oxazepin-7-yl)-5-oxazolidinyl]methyl]acetamide are excluded], salts of the same, and prodrugs thereof have selective activation effect on serotonin 5-HT2C receptor and are useful as preventive and therapeutic agents for lower urinary tract diseases, obesity, and/or pelvic organ prolapse.

Design, synthesis, and pharmacological evaluation of N-bicyclo-5-chloro-1H-indole-2-carboxamide derivatives as potent glycogen phosphorylase inhibitors

As a result of the various N-bicyclo-5-chloro-1H-indole-2-carboxamide derivatives with a hydroxy moiety synthesized in an effort to discover novel glycogen phosphorylase (GP) inhibitors, 5-chloro-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2

Promoting or preventing haloaryllithium isomerizations: Differential basicities and solvent effects as the crucial variables

Deprotonation-triggered heavy halogen migrations should become a favorite tool in arene synthesis if their occurrence and outcome could be made predictable. Particularly attractive, though extremely rare, are stop-and-go situations where a first intermediate, generated by metalation, can be trapped at -100 °C, whereas at -75 °C halogen migration gives rise to an isomer. As shown now, one can conveniently produce the initial aryllithium species by halogen/metal interconversion in toluene at -100 °C, under conditions that preclude, halogen migration, and unleash the isomerization process by adding tetrahydrofuran at -75 °C.

Exploring Structural Opportunities: The Regioflexible Substitution of 1,3-Difluorobenzene

To demonstrate the superiority of modern organometallic methods, the inexpensive starting material 1,3-difluorobenzene has been selectively converted into the three benzoic acids and all seven bromobenzoic acids containing the two fluorine atoms in homovicinal positions. The 2,6-difluorobenzoic acid (1) was prepared in a one-pot reaction consisting of direct metallation and carboxylation. The key step on the route to the bromobenzoic acid 4 was a deprotonation-triggered bromine migration from the 2- to the 4-position. All other products were attained through (2,6-difluorophenyl)triethylsilane (11). Consecutive deprotonation of the sites adjacent to the fluorine atoms, followed by appropriate electrophilic substitution, provided not only the acid 7 but also the dibromo and iodobromo derivatives 13 and 23. These in turn gave the isomers 14 and 24 upon base-mediated migration of the heaviest halogen, which made the acids 8 and 10 directly accessible. The regiocontrolled monodebromination of intermediate 14 afforded (4-bromo-2,6-difluoro)triethylsilane (15), which opened the route to the acids 3 and 5 (by carboxylation and protodesilylation) and to acid 9 (by carboxylation and bromodesilylation). Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.