4-Bromo-2,6-difluorophenylacetic acid

Base Information

• Chemical Name: 4-Bromo-2,6-difluorophenylacetic acid
• CAS No.: 537033-54-8
• Molecular Formula: C8H5BrF2O2
• Molecular Weight: 251.027
• Hs Code.: 2916399090
• European Community (EC) Number: 810-730-9
• DSSTox Substance ID: DTXSID20378359
• Wikidata: Q82167885
• Mol file: 537033-54-8.mol

Synonyms:4-Bromo-2,6-difluorophenylacetic acid;537033-54-8;2-(4-bromo-2,6-difluorophenyl)acetic acid;MFCD03094466;2-(4-bromo-2,6-difluoro-phenyl)acetic Acid;SCHEMBL4928410;DTXSID20378359;GBFFYYLXGIHKLU-UHFFFAOYSA-N;CL8782;AKOS015835521;AM84027;AS-46104;2-(4-bromo-2,6-difluorophenyl)aceticacid;CS-0060185;FT-0663713;4-Bromo-2,6-difluorophenylacetic acid, 95%;EN300-267444;J-514615;Z1269210462

Chemical Property of 4-Bromo-2,6-difluorophenylacetic acid

Chemical Property:

• Boiling Point: 307.7±37.0 °C(Predicted)
• PKA: 3.60±0.10(Predicted)
• PSA: 37.30000
• Density: 1.77
• LogP: 2.35440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 249.94410
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2,6-difluorophenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)CC(=O)O)F)Br
• Uses: 4-BROMO-2,6-DIFLUOROPHENYLACETIC ACID is used in the preparation of pyrido[2,3-b]pyrazine-8-amine derivatives as phytopathogenic fungicides useful for controlling phytopathogenic fungi.

Technology Process of 4-Bromo-2,6-difluorophenylacetic acid

There total 6 articles about 4-Bromo-2,6-difluorophenylacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 41.0%

2-(4-bromo-2,6-difluorophenyl)acetamide (1426050-43-2) → 2-(4-bromo-2,6-difluorophenyl)acetic acid (537033-54-8)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 80 ℃;

Reference yield: 33.3%

2-(4-bromo-2,6-difluorophenyl)acetonitrile (537033-52-6) → 2-(4-bromo-2,6-difluorophenyl)acetic acid (537033-54-8)

Guidance literature:

With sulfuric acid; water; at 60 ℃; for 16h;

Reference yield:

5-bromo-2-(bromomethyl)-1,3-difluoro-benzene (162744-60-7) → 2-(4-bromo-2,6-difluorophenyl)acetic acid (537033-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 16 h / 25 °C

2: sulfuric acid; water / 16 h / 60 °C

With sulfuric acid; water; In N,N-dimethyl-formamide;

upstream raw materials:

2-(4-bromo-2,6-difluorophenyl)acetonitrile

5-bromo-2-(bromomethyl)-1,3-difluoro-benzene

2-(4-bromo-2,6-difluorophenyl)acetamide

4-bromo-2,6-difluorobenzoic acid

Downstream raw materials:

2-(4-bromo-2,6-difluorophenyl)acetyl chloride

2-(4-bromo-2,6-difluoro-phenyl)ethanol

4-bromo-2,6-difluorophenethyl acetate

2-bromo-2-(4-bromo-2,6-difluorophenyl)ethyl acetate

Refernces

• 1、 -. "PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS". Page/Page column 82; 83. . Retrieved 2014/09/29.
• 2、 -. "FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES". Page/Page column 78. . Retrieved 2008/06/13.