4'-Bromo-2-methyl-1,1'-biphenyl

Base Information

• Chemical Name: 4'-Bromo-2-methyl-1,1'-biphenyl
• CAS No.: 106475-19-8
• Molecular Formula: C13H11Br
• Molecular Weight: 247.134
• DSSTox Substance ID: DTXSID50569990
• Nikkaji Number: J901.748H
• Wikidata: Q82457271
• Mol file: 106475-19-8.mol

Synonyms:106475-19-8;4'-Bromo-2-methyl-1,1'-biphenyl;1,1'-Biphenyl, 4'-bromo-2-methyl-;4'-Bromo-2-methylbiphenyl;SCHEMBL1841291;DTXSID50569990;WXRCHIFZEUELKP-UHFFFAOYSA-N;4-Bromo-2'-methyl-1,1'-biphenyl;MFCD26632020;SY273494;4 inverted exclamation mark -Bromo-2-methylbiphenyl

Chemical Property of 4'-Bromo-2-methyl-1,1'-biphenyl

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 246.00441
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)Br

Technology Process of 4'-Bromo-2-methyl-1,1'-biphenyl

There total 6 articles about 4'-Bromo-2-methyl-1,1'-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: 81.0%

carbon monoxide (201230-82-2) + 2-Methylphenylboronic acid (16419-60-6) + 4-bromobenzenediazonium tetrafluoroborate (673-40-5) → (4-bromophenyl)(o-tolyl)methanone (27428-59-7) + 4'-bromo-2-methyl-1,1'-biphenyl (106475-19-8)

Guidance literature:

With palladium diacetate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In 1,4-dioxane; at 100 ℃; for 5h; under 760 Torr;

DOI:10.1016/S0040-4039(02)02186-X

Reference yield: 76.0%

1,4-bromoiodobenzene (589-87-7) + bis(2-methylphenyl)zinc (7029-31-4) → 4'-bromo-2-methyl-1,1'-biphenyl (106475-19-8)

Guidance literature:

With copper(l) iodide; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0035-1560397

Reference yield:

ortho-tolylmagnesium bromide (932-31-0) + 4-bromophenyl trifluoromethanesulfonate (66107-30-0) → 2,2”-dimethyl-1,1‘:4’,1“-terphenyl (53092-64-1) + 4'-bromo-2-methyl-1,1'-biphenyl (106475-19-8)

Guidance literature:

With bis(diphenylphosphino)propanepalladium(II) dichloride; In diethyl ether; at 0 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(97)01655-9

upstream raw materials:

α-(4-bromophenylazo)triphenylmethane

toluene

ortho-tolylmagnesium bromide

4-bromophenyl trifluoromethanesulfonate

Downstream raw materials:

2-methylbiphenyl

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