4-Cyano-4'-methylbiphenyl

Base Information

• Chemical Name: 4-Cyano-4'-methylbiphenyl
• CAS No.: 50670-50-3
• Molecular Formula: C14H11N
• Molecular Weight: 193.248
• Hs Code.: 2926909090
• European Community (EC) Number: 256-701-9
• DSSTox Substance ID: DTXSID0068573
• Nikkaji Number: J1.335H
• Wikidata: Q72458510
• Mol file: 50670-50-3.mol

Synonyms:4-Cyano-4'-methylbiphenyl;50670-50-3;4-(4-methylphenyl)benzonitrile;4'-Methyl-[1,1'-biphenyl]-4-carbonitrile;4'-Cyano-4-methylbiphenyl;4'-methyl[1,1'-biphenyl]-4-carbonitrile;4'-methylbiphenyl-4-carbonitrile;4'-Methyl-4-biphenylcarbonitrile;[1,1'-biphenyl]-4-carbonitrile, 4'-methyl-;(1,1'-Biphenyl)-4-carbonitrile, 4'-methyl-;EINECS 256-701-9;4-Methyl-[1,1-biphenyl]-4-carbonitrile;4'-Methyl(1,1'-biphenyl)-4-carbonitrile;4-methyl 4'-cyanobiphenyl;4'-cyano-4-methyl-biphenyl;SCHEMBL91813;4-Cyano-4\'-methylbiphenyl;DTXSID0068573;Pyrrolidine, 1-(3-methylphenyl)-;AMY33056;MFCD03703444;4-(4-methylphenyl)benzenecarbonitrile;AKOS002683319;AC-8744;AS-64485;BB 0223001;C1741;FT-0652260;A828234

Chemical Property of 4-Cyano-4'-methylbiphenyl

Chemical Property:

• Melting Point: 108.0 to 112.0 °C
• Boiling Point: 343.5 °C at 760 mmHg
• Flash Point: 162.3 °C
• PSA: 23.79000
• Density: 1.09 g/cm³
• LogP: 3.53368
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98% ^*data from raw suppliers

4-Cyano-4''-methylbiphenyl ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Uses: 4-Cyano-4''-methylbiphenyl

Technology Process of 4-Cyano-4'-methylbiphenyl

There total 110 articles about 4-Cyano-4'-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: 99.0%

4-bromobenzenecarbonitrile (623-00-7) + 4-methylphenylboronic acid (5720-05-8) → p-(p-tolyl)benzonitrile (50670-50-3)

Guidance literature:

With potassium carbonate; polymer-supported Pd catalyst FC 1001; In 1,2-dimethoxyethane; ethanol; at 100 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/ol048972p

Reference yield: 99.0%

4-Cyanochlorobenzene (623-03-0) + 4-methylphenylboronic acid (5720-05-8) → p-(p-tolyl)benzonitrile (50670-50-3)

Guidance literature:

With tetrabutyl ammonium fluoride; potassium carbonate; In water; at 100 ℃; for 22h;

DOI:10.1021/ja210772v

Reference yield: 98.0%

4-Cyanochlorobenzene (623-03-0) + potassium (4-methylphenyl)trifluoroborate → p-(p-tolyl)benzonitrile (50670-50-3)

Guidance literature:

With N-methyl-2-phenyl-3-(dicyclohexylphosphino)-1H-indole; palladium diacetate; potassium carbonate; triethylamine; In water; at 100 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0033-1338660

upstream raw materials:

4-bromobenzenecarbonitrile

(dichloro)(ethyl)(4-methylphenyl)silane

4-iodobenzonitrile

ethyl(difluoro)(4-methylphenyl)silane

Downstream raw materials:

3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid

3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester

N-(4-hydroxymethylphenyl)-2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide