(4-Methylphenyl)(phenyl)acetonitrile

Base Information

• Chemical Name: (4-Methylphenyl)(phenyl)acetonitrile
• CAS No.: 6974-49-8
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• NSC Number: 23824
• DSSTox Substance ID: DTXSID70282013
• Nikkaji Number: J3.113.667I
• Mol file: 6974-49-8.mol

Synonyms:(4-methylphenyl)(phenyl)acetonitrile;6974-49-8;2-(4-methylphenyl)-2-phenylacetonitrile;2-Phenyl-2-(p-tolyl)acetonitrile;MFCD19302263;NSC23824;SCHEMBL9447402;DTXSID70282013;NSC-23824;AKOS015998441;LS-08981;CS-0326593

Chemical Property of (4-Methylphenyl)(phenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.000164mmHg at 25°C
• Boiling Point: 330.7°C at 760 mmHg
• Flash Point: 162.6°C
• Density: 1.058g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4-Methylphenyl)(phenyl)acetonitrile

There total 11 articles about (4-Methylphenyl)(phenyl)acetonitrile 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: 91.0%

trimethylsilyl cyanide (7677-24-9) + 4-methylphenyl(phenyl)methanol (1517-63-1) → phenyl(p-tolyl)acetonitrile (6974-49-8)

Guidance literature:

With zinc trifluoromethanesulfonate; In nitromethane; at 100 ℃; for 6h;

DOI:10.1016/j.tetlet.2012.08.021

Reference yield: 76.0%

(4-methylphenyl)acetonitrile (2947-61-7) + bromobenzene (108-86-1,52753-63-6) → phenyl(p-tolyl)acetonitrile (6974-49-8)

Guidance literature:

With potassium phosphate; dicyclohexyl-({2-[2-(dicyclohexylphosphanyl)phenyl]-phenyl})-phosphane; palladium diacetate; In 1,4-dioxane; at 80 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol503213z

Reference yield: 45.0%

2-phenyl-2-(4-methylphenyl)-1-nitroethane (1882-47-9) → phenyl(p-tolyl)acetonitrile (6974-49-8)

Guidance literature:

With sodium dithionite; In ethanol; at 20 - 100 ℃; pH=10;

DOI:10.1055/s-0033-1370874

upstream raw materials:

phenyl-p-tolyl-acetic acid amide

phenylacetonitrile

(RS)-mandelonitrile

toluene

Downstream raw materials:

2-phenyl-2-p-tolyl-ethylamine

4-Methylbenzophenone

diethyl-(2-phenyl-2-p-tolyl-ethyl)-amine

2,3-Diphenyl-2,3-di-p-tolyl-succinonitrile