2-Benzoylpyrimidine

Base Information

• Chemical Name: 2-Benzoylpyrimidine
• CAS No.: 112170-34-0
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.197
• European Community (EC) Number: 819-456-4
• DSSTox Substance ID: DTXSID70438513
• Nikkaji Number: J699.103C
• Wikidata: Q82254276
• Mol file: 112170-34-0.mol

Synonyms:2-benzoylpyrimidine;112170-34-0;Methanone, phenyl-2-pyrimidinyl-;phenyl(pyrimidin-2-yl)methanone;benzoyl pyrimidine;Phenylpyrimidylketon;SCHEMBL2890937;DTXSID70438513;KFGGAFBXJXIXCC-UHFFFAOYSA-N;AKOS010013741;EN300-124892

Chemical Property of 2-Benzoylpyrimidine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NC=CC=N2

Technology Process of 2-Benzoylpyrimidine

There total 8 articles about 2-Benzoylpyrimidine 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: 98.0%

α-phenyl-2-pyrimidinylacetonitrile (112170-35-1) → phenyl(pyrimidin-2-yl)methanone (112170-34-0)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In toluene; for 10h;

Reference yield: 78.0%

2-Oxo-3-phenylisoxazolo<2,3-a>pyrimidine (166319-03-5) → phenyl(pyrimidin-2-yl)methanone (112170-34-0) + 1-phenyl-1-(2-pyrimidinyl)methanol (155191-69-8)

Guidance literature:

With oxygen; In water; acetonitrile; for 24h; Heating; further conditions;

DOI:10.1021/jo952200c

Reference yield: 73.0%

benzyl-pyrimidine (90210-57-4) → phenyl(pyrimidin-2-yl)methanone (112170-34-0)

Guidance literature:

With tert.-butylnitrite; N-hydroxyphthalimide; oxygen; In benzonitrile; at 80 ℃; for 24h; under 760.051 Torr; Schlenk technique;

DOI:10.1021/acs.joc.9b03205

upstream raw materials:

2-chloropyrimidine

phenylacetonitrile

α-phenyl-2-pyrimidinylacetonitrile

2-Oxo-3-phenylisoxazolo<2,3-a>pyrimidine

Downstream raw materials:

6-[1-Phenyl-1-pyrimidin-2-yl-meth-(Z)-ylideneaminooxy]-hexanoic acid ethyl ester

6-[1-Phenyl-1-pyrimidin-2-yl-meth-(E)-ylideneaminooxy]-hexanoic acid ethyl ester

5-[1-Phenyl-1-pyrimidin-2-yl-meth-(Z)-ylideneaminooxy]-pentanoic acid ethyl ester

5-[1-Phenyl-1-pyrimidin-2-yl-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester