1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-

Base Information

• Chemical Name: 1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-
• CAS No.: 79757-93-0
• Molecular Formula: C14H13Br
• Molecular Weight: 261.161
• DSSTox Substance ID: DTXSID10513535
• Nikkaji Number: J445.804D
• Wikidata: Q82373397
• Mol file: 79757-93-0.mol

Synonyms:79757-93-0;1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-;1-(BROMOMETHYL)-4-(4-METHYLPHENYL)BENZENE;SCHEMBL260356;DTXSID10513535;4-(Bromomethyl)-4'-methyl-1,1'-biphenyl

Chemical Property of 1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 260.02006
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl-

There total 1 articles about 1,1'-Biphenyl, 4-(bromomethyl)-4'-methyl- 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: 42.0%

4-methylphenylboronic acid (5720-05-8) + 1-bromomethyl-4-bromobenzene (589-15-1) → 4-(bromomethyl)-4′-methyl-1,1′-biphenyl (79757-93-0) + 4-methyl-4′-(4-methylbenzyl)-1,1′-biphenyl

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate; In water; toluene; at 80 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.3390/molecules23020433

Reference yield: 58.0%

4-(bromomethyl)-4′-methyl-1,1′-biphenyl (79757-93-0) + 6-morpholinopurine (2846-96-0) → 4-(9-((4'-methyl-[1,1'-biphenyl]-4-yl)methyl)-9H-purin-6-yl)morpholine

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; Alkaline conditions;

DOI:10.1016/j.bmc.2017.04.019

Reference yield: 43.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(bromomethyl)-4′-methyl-1,1′-biphenyl (79757-93-0) + L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) → (S)-2-((tert-butoxycarbonyl)amino)-3-(4-((4'-methyl-[1,1'-biphenyl]-4-yl)methoxy)phenyl)propanoic acid

Guidance literature:

L-tyrosine; With copper(II) sulfate; sodium hydroxide; at 60 ℃; for 1h;

4-(bromomethyl)-4′-methyl-1,1′-biphenyl; In methanol; at 60 ℃; for 3h;

di-tert-butyl dicarbonate; With triethylamine; In 1,4-dioxane; water; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2018.08.030

upstream raw materials:

4-methylphenylboronic acid

1-bromomethyl-4-bromobenzene