4-(3,5-DiMethylphenyl)benzonitrile

Base Information

• Chemical Name: 4-(3,5-DiMethylphenyl)benzonitrile
• CAS No.: 935552-89-9
• Molecular Formula: C₁₅H₁₃N
• Molecular Weight: 207.275
• Hs Code.: 2926909090
• Mol file: 935552-89-9.mol

Synonyms:4-(3,5-DiMethylphenyl)benzonitrile

Chemical Property of 4-(3,5-DiMethylphenyl)benzonitrile

Chemical Property:

• Melting Point: 58-59 °C
• Boiling Point: 344.5±21.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 3.84208

Purity/Quality:

99% ^*data from raw suppliers

4-(3,5-Dimethylphenyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3,5-DiMethylphenyl)benzonitrile

There total 6 articles about 4-(3,5-DiMethylphenyl)benzonitrile 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%

4-cyanophenol (767-00-0) + 3,5-dimethylphenyl boronic acid (172975-69-8) → 3',5'-dimethyl-[1,1'-biphenyl]-4-carbonitrile (935552-89-9)

Guidance literature:

4-cyanophenol; With fluorosulfonyl fluoride; triethylamine; In ethanol; water; at 20 ℃; for 4h;

3,5-dimethylphenyl boronic acid; With palladium diacetate; triethylamine; In ethanol; water; at 20 ℃; for 6h;

Reference yield: 92.0%

4-Cyanochlorobenzene (623-03-0) + 3,5-dimethylphenyl boronic acid (172975-69-8) → 3',5'-dimethyl-[1,1'-biphenyl]-4-carbonitrile (935552-89-9)

Guidance literature:

With potassium fluoride; lithium hydroxide; n-butyllithium; triphenylphosphine; In 1,4-dioxane; hexane; at 200 ℃; for 1h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/ol801676u

Reference yield: 90.0%

3,5-dimethylphenyl iodide (22445-41-6) + 4-iodobenzonitrile (3058-39-7) → 3',5'-dimethyl-[1,1'-biphenyl]-4-carbonitrile (935552-89-9)

Guidance literature:

4-iodobenzonitrile; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 0.333333h;

3,5-dimethylphenyl iodide; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene; at -20 ℃; for 7h; Further stages.;

DOI:10.1021/ja070830d

upstream raw materials:

3,5-dimethylphenyl iodide

4-iodobenzonitrile

4-Cyanochlorobenzene

2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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