2-Benzoyloxazole

Base Information

• Chemical Name: 2-Benzoyloxazole
• CAS No.: 174150-58-4
• Molecular Formula: C10H7 N O2
• Molecular Weight: 173.171
• Hs Code.: 2934999090
• European Community (EC) Number: 622-675-6
• DSSTox Substance ID: DTXSID40584531
• Wikidata: Q82476203
• Mol file: 174150-58-4.mol

Synonyms:2-Benzoyloxazole;174150-58-4;Oxazol-2-yl(phenyl)methanone;1,3-oxazol-2-yl(phenyl)methanone;MFCD07699335;benzoyloxazole;1,3-oxazol-2-yl-phenylmethanone;2-Benzoyloxazole, 97%;oxazol-2-yl-phenyl-methanone;SCHEMBL4004784;DTXSID40584531;LAYXHUOYWYRVDY-UHFFFAOYSA-N;(1,3-Oxazol-2-yl)(phenyl)methanone;AKOS015912926;CS-0336844;J-010971

Chemical Property of 2-Benzoyloxazole

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 300.7°Cat760mmHg
• Flash Point: 135.7°C
• PSA: 43.10000
• Density: 1.206g/cm³
• LogP: 1.90560
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

2-Benzoyloxazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NC=CO2

Technology Process of 2-Benzoyloxazole

There total 4 articles about 2-Benzoyloxazole 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%

oxazol (288-42-6) + benzoyl chloride (98-88-4) → oxazol-2-yl-(phenyl)methanone (174150-58-4)

Guidance literature:

With dmap; triethylamine; In acetonitrile; at 80 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0033-1339858

Reference yield: 68.0%

2-bromooxazole (125533-82-6) + carbon monoxide (201230-82-2) + triethoxyphenylsilane (780-69-8) → oxazol-2-yl-(phenyl)methanone (174150-58-4)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); cesium fluoride; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 6h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2016.02.058

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + C16H14ClNO3S → oxazol-2-yl-(phenyl)methanone (174150-58-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 0 - 20 ℃; Green chemistry;

upstream raw materials:

oxazol

benzoyl chloride

2-bromooxazole

carbon monoxide

Downstream raw materials:

1-(2-fluoro-4-nitrophenyl)-4-(oxazol-2-yl(phenyl)methyl)piperazine

2-(1-phenylethyl)oxazole