4-Bromo-2-methylbiphenyl

Base Information

• Chemical Name: 4-Bromo-2-methylbiphenyl
• CAS No.: 5002-26-6
• Molecular Formula: C13H11Br
• Molecular Weight: 247.134
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70433422
• Nikkaji Number: J1.388.957K
• Wikidata: Q82247565
• Mol file: 5002-26-6.mol

Synonyms:4-BROMO-2-METHYLBIPHENYL;5002-26-6;4-bromo-2-methyl-1,1'-Biphenyl;4-bromo-2-methyl-1-phenylbenzene;2-Methyl-4-bromobiphenyl;4-bromo-2-methyl-biphenyl;3-methyl-4-phenylbromobenzene;SCHEMBL177529;DTXSID70433422;ZBNARPVMXYNXQQ-UHFFFAOYSA-N;MFCD03093069;AKOS025295379;AS-48165;CS-0193553;FT-0617791;F19555;A827937

Chemical Property of 4-Bromo-2-methylbiphenyl

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 308°Cat760mmHg
• Flash Point: 138.9°C
• PSA: 0.00000
• Density: 1.32g/cm³
• LogP: 4.42450
• 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: 172

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-methylbiphenyl 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Br)C2=CC=CC=C2

Technology Process of 4-Bromo-2-methylbiphenyl

There total 6 articles about 4-Bromo-2-methylbiphenyl 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: 92.0%

→ 3-methyl-4-phenylbromobenzene (5002-26-6)

Guidance literature:

Reference yield: 80.0%

2-methyl-4-bromoiodobenzene (116632-39-4) + phenylboronic acid (98-80-6) → 3-methyl-4-phenylbromobenzene (5002-26-6)

Guidance literature:

With palladium diacetate; sodium carbonate; triphenylphosphine; In water; acetone; for 12h; Inert atmosphere; Reflux;

DOI:10.1021/op034001y

Reference yield: 74.0%

2-methyl-4-bromoiodobenzene (116632-39-4) + phenylmagnesium chloride (100-59-4) → 3-methyl-4-phenylbromobenzene (5002-26-6)

Guidance literature:

With C₇₂H₆₃P₆Pd₃⁽¹⁺⁾*I^(1-); In tetrahydrofuran; toluene; at 20 ℃; for 3h; chemoselective reaction; Inert atmosphere; Glovebox;

DOI:10.1002/anie.201811380

upstream raw materials:

benzene

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

2-methyl-4-bromoiodobenzene

phenylboronic acid

Downstream raw materials:

tert-butyl (3R,5E)-3-({[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]amino}carbonyl)-6-[(3-methyl-4-phenyl)phenyl]hex-5-enoate

t-Butyl 4-hydroxy-4-(3-methyl-4-phenylphenyl)piperidine-1-carboxylate

C₆₈H₆₆Br₂N₂