2-Bromo-4'-(trifluoromethyl)biphenyl

Base Information

• Chemical Name: 2-Bromo-4'-(trifluoromethyl)biphenyl
• CAS No.: 255837-15-1
• Molecular Formula: C13H8BrF3
• Molecular Weight: 301.106
• Hs Code.: 2903998090
• European Community (EC) Number: 828-915-8
• DSSTox Substance ID: DTXSID50476372
• Wikidata: Q72513423
• Mol file: 255837-15-1.mol

Synonyms:255837-15-1;2-bromo-4'-(trifluoromethyl)biphenyl;2-Bromo-4'-(trifluoromethyl)-1,1'-biphenyl;1-BROMO-2-[4-(TRIFLUOROMETHYL)PHENYL]BENZENE;2'-Bromo-4-(trifluoromethyl)-biphenyl;SCHEMBL2841464;DTXSID50476372;ZEDQINNAFFEVEW-UHFFFAOYSA-N;MFCD03412188;CS-0333446;FT-0701026;W-206960

Chemical Property of 2-Bromo-4'-(trifluoromethyl)biphenyl

Chemical Property:

• PSA: 0.00000
• Density: 1.472±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 5.13490
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 299.97615
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4'-(trifluoromethyl)biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4'-(trifluoromethyl)biphenyl

There total 5 articles about 2-Bromo-4'-(trifluoromethyl)biphenyl 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: 95.0%

1-Bromo-2-iodobenzene (583-55-1) + 4-Iodobenzotrifluoride (455-13-0) → 2-bromo-4’-trifluoromethyl-1,1’-biphenyl (255837-15-1)

Guidance literature:

4-Iodobenzotrifluoride; With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃; for 1h;

With zinc dibromide; In tetrahydrofuran; at 20 ℃; for 0.5h;

1-Bromo-2-iodobenzene; With triphenylphosphine; [Pd(dibenzylideneacetone)2]; In tetrahydrofuran; at 20 ℃;

DOI:10.1002/chem.200400023

Reference yield: 95.0%

4-Iodobenzotrifluoride (455-13-0) + (2-bromophenyl)boronic acid (244205-40-1) → 2-bromo-4’-trifluoromethyl-1,1’-biphenyl (255837-15-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; benzene; at 100 ℃; for 4.5h; Inert atmosphere;

DOI:10.1002/anie.201504066

Reference yield: 39.0%

1-Bromo-2-iodobenzene (583-55-1) + 4-trifluoromethylphenylboronic acid (128796-39-4) → 2-bromo-4’-trifluoromethyl-1,1’-biphenyl (255837-15-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol503574k

upstream raw materials:

1-Bromo-2-iodobenzene

4-Iodobenzotrifluoride

4-trifluoromethylphenylboronic acid

1-phenyl-4-(trifluoromethyl)benzene

Downstream raw materials:

4'-Trifluoromethyl-2-biphenylcarbaldehyde

(4'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)boronic acid

bis(4'-trifluoromethylbiphenyl-2-yl)silane

[4'-(trifluoromethyl)biphenyl-2-yl]phenylphosphine oxide