4-Bromo-2,6-difluorobenzoyl chloride

Base Information

• Chemical Name: 4-Bromo-2,6-difluorobenzoyl chloride
• CAS No.: 497181-19-8
• Molecular Formula: C7H2BrClF2O
• Molecular Weight: 255.446
• Hs Code.: 2916399090
• European Community (EC) Number: 803-879-6
• DSSTox Substance ID: DTXSID00378352
• Wikidata: Q82167882
• Mol file: 497181-19-8.mol

Synonyms:4-bromo-2,6-difluorobenzoyl chloride;497181-19-8;SCHEMBL1085223;DTXSID00378352;PURKKPCKWDOWLC-UHFFFAOYSA-N;XUA18119;4-bromo-2,6-difluorobenzoylchloride;MFCD03094086;AKOS023118474;4-Bromo-2,6-difluoro-benzoyl chloride;PS-10687;FT-0698478;4-bromo-2,6-difluorobenzoyl chloride, AldrichCPR

Chemical Property of 4-Bromo-2,6-difluorobenzoyl chloride

Chemical Property:

• Boiling Point: 222-223
• Flash Point: >110℃
• PSA: 17.07000
• Density: 1.788
• LogP: 3.10630
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 253.89456
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99.9% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C(=O)Cl)F)Br

Technology Process of 4-Bromo-2,6-difluorobenzoyl chloride

There total 1 articles about 4-Bromo-2,6-difluorobenzoyl chloride 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: 100.0%

4-bromo-2,6-difluorobenzoic acid (183065-68-1) → 2,6-difluoro-4-bromobenzoyl chloride (497181-19-8)

Guidance literature:

With thionyl chloride; at 75 ℃; for 4h;

DOI:10.1021/acs.jmedchem.9b01506

Reference yield: 100.0%

2,6-difluoro-4-bromobenzoyl chloride (497181-19-8) + malononitrile (109-77-3) → 2-[(4-bromo-2,6-difluorophenyl)hydroxymethylene]propanedinitrile

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; toluene; at -10 - 20 ℃; for 14h;

Reference yield: 87.0%

2,6-difluoro-4-bromobenzoyl chloride (497181-19-8) + 2-amino-phenol (95-55-6) → 4-bromo-2,6-difluoro-N-(2-hydroxyphenyl)benzamide (1252554-78-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1021/acs.jmedchem.9b01506

upstream raw materials:

4-bromo-2,6-difluorobenzoic acid

Downstream raw materials:

4-bromo-2,6-difluorobenzoic acid methyl ester

N-(2-aminophenyl)-4-bromo-2,6-difluorobenzamide

4-bromo-2,6-difluoro-N-(2-fluoro-6-hydroxyphenyl)benzamide

4-bromo-2,6-difluoro-N-(2-hydroxyphenyl)benzamide

Refernces

• 1、 Klug, Dana M.,Tschiegg, Laura,Diaz, Rosario,Rojas-Barros, Domingo,Perez-Moreno, Guiomar,Ceballos, Gloria,García-Hernández, Raquel,Martinez-Martinez, Maria Santos,Manzano, Pilar,Ruiz, Luis Miguel,Caffrey, Conor R.,Gamarro, Francisco,Pacanowska, Dolores Gonzalez,Ferrins, Lori,Navarro, Miguel,Pollastri, Michael P.. "Hit-to-Lead Optimization of Benzoxazepinoindazoles As Human African Trypanosomiasis Therapeutics". . p. 2527 - 2546. Retrieved 2019/11/28.
• 2、 -. "NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES". Paragraph 0485; 0507; 0532; 0533. . Retrieved 2019/06/17.