3-Bromo-4-Fluorobiphenyl

Base Information

• Chemical Name: 3-Bromo-4-Fluorobiphenyl
• CAS No.: 306935-88-6
• Molecular Formula: C12H8 Br F
• Molecular Weight: 251.098
• Hs Code.: 2903999090
• European Community (EC) Number: 680-448-7
• DSSTox Substance ID: DTXSID40378412
• Wikidata: Q82167920
• Mol file: 306935-88-6.mol

Synonyms:3-Bromo-4-Fluorobiphenyl;306935-88-6;3-bromo-4-fluoro-1,1'-biphenyl;2-bromo-1-fluoro-4-phenylbenzene;2-bromo-1-fluoro-4-phenyl-benzene;SCHEMBL456798;DTXSID40378412;MFCD01571091;1,1'-Biphenyl, 3-bromo-4-fluoro-;AKOS023126083;PS-11345;CS-0313224;FT-0615151;3-Bromo-4-fluoro-1,1'-biphenyl, AldrichCPR;A820533;J-018066

Chemical Property of 3-Bromo-4-Fluorobiphenyl

Chemical Property:

• Boiling Point: 294.8°Cat760mmHg
• Flash Point: 135.8°C
• PSA: 0.00000
• Density: 1.433g/cm³
• LogP: 4.25520
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 249.97934
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

98%Min ^*data from raw suppliers

3-Bromo-4-fluorobiphenyl 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)F)Br

Technology Process of 3-Bromo-4-Fluorobiphenyl

There total 1 articles about 3-Bromo-4-Fluorobiphenyl 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: 97.0%

2-bromo-1-fluoro-4-iodobenzene (811842-30-5) + phenylboronic acid (98-80-6) → 2-bromo-1-fluoro-4-phenylbenzene (306935-88-6)

Guidance literature:

With palladium diacetate; sodium carbonate; triphenylphosphine; In ethanol; water; toluene; at 50 - 80 ℃; for 42.5h; Inert atmosphere; Schlenk technique;

Reference yield: 97.0%

2-bromo-1-fluoro-4-phenylbenzene (306935-88-6) + silver(I) trifluoromethanethiolate (811-68-7) → 4-fluoro-3-((trifluoromethyl)thio)-1,1'-biphenyl (1333415-81-8)

Guidance literature:

2-bromo-1-fluoro-4-phenylbenzene; With bis[(trimethylsilyl)methyl](1,5-cyclooctadiene)palladium(II); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; In toluene; at 80 ℃; for 0.0166667h; Inert atmosphere;

silver(I) trifluoromethanethiolate; With N,N,N-triethylbenzenaminium iodide; In toluene; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201102543

Reference yield: 86.0%

2-bromo-1-fluoro-4-phenylbenzene (306935-88-6) + 2-chloro-5-hydroxynaphthalene (56820-70-3) → C22H14BrClO

Guidance literature:

With caesium carbonate; In acetonitrile; at 100 ℃; for 10h; Inert atmosphere;

upstream raw materials:

2-bromo-1-fluoro-4-iodobenzene

phenylboronic acid

Downstream raw materials:

4-fluoro-3-((trifluoromethyl)thio)-1,1'-biphenyl

Refernces