(4-Benzoylphenyl)acetonitrile

Base Information

• Chemical Name: (4-Benzoylphenyl)acetonitrile
• CAS No.: 21192-61-0
• Molecular Formula: C15H11NO
• Molecular Weight: 221.258
• DSSTox Substance ID: DTXSID60510897
• Nikkaji Number: J2.255.503K
• Wikidata: Q82369445
• Mol file: 21192-61-0.mol

Synonyms:(4-benzoylphenyl)acetonitrile;4-cyanomethylbenzophenone;21192-61-0;SCHEMBL7492979;DTXSID60510897

Chemical Property of (4-Benzoylphenyl)acetonitrile

Chemical Property:

• PSA: 40.86000
• LogP: 2.98368
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 221.084063974
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Benzoylphenyl)acetonitrile

There total 10 articles about (4-Benzoylphenyl)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: 92.0%

2-trimethylsilylacetonitrile (18293-53-3) + (4-bromophenyl)(phenyl)methanone (90-90-4) → 2-(4-benzoylphenyl)acetonitrile (21192-61-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; zinc(II) fluoride; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 90 ℃; for 8h;

DOI:10.1021/ja053027x

Reference yield: 87.0%

sodium cyanide (143-33-9,25596-52-5) + 4-(bromomethyl)benzophenone (32752-54-8) → 2-(4-benzoylphenyl)acetonitrile (21192-61-0)

Guidance literature:

In 1,4-dioxane; water; at 90 ℃; for 2h;

DOI:10.1021/ja017611r

Reference yield: 72.0%

sodium cyanide (773837-37-9) + 4-(bromomethyl)benzophenone (32752-54-8) → 2-(4-benzoylphenyl)acetonitrile (21192-61-0)

Guidance literature:

In 1,4-dioxane; water; for 2h; Reflux;

DOI:10.1021/jm201327p

upstream raw materials:

potassium cyanide

4-(bromomethyl)benzophenone

sodium cyanide

2-trimethylsilylacetonitrile

Downstream raw materials:

(+/-)-oxiran-2-ylmethyl 2-(4-benzylphenyl)acetate

(±)-tetrahydro-2H-pyran-2-ylmethyl (4-benzylphenyl)acetate

(2R)-(-)-oxiran-2-ylmethyl 2-(4-benzylphenyl)acetate

(2S)-(+)-oxiran-2-ylmethyl 2-(4-benzylphenyl)acetate