2(3H)-Oxazolone, 3-benzoyl-

Base Information

• Chemical Name: 2(3H)-Oxazolone, 3-benzoyl-
• CAS No.: 60759-50-4
• Molecular Formula: C10H7NO3
• Molecular Weight: 189.17
• DSSTox Substance ID: DTXSID90484815
• Wikidata: Q82323481
• Mol file: 60759-50-4.mol

Synonyms:2(3H)-Oxazolone, 3-benzoyl-;60759-50-4;DTXSID90484815

Chemical Property of 2(3H)-Oxazolone, 3-benzoyl-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C=COC2=O

Technology Process of 2(3H)-Oxazolone, 3-benzoyl-

There total 4 articles about 2(3H)-Oxazolone, 3-benzoyl- 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%

Diphenyl 2-oxo-3-oxazolinylphosphonate (78605-38-6) + benzoic acid (65-85-0,8013-63-6) → 3-acyl-2-oxazolone(R=Ph) (60759-50-4)

Guidance literature:

With triethylamine; In acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4039(01)90289-8

Reference yield: 8.0%

2-methylpropan-2-thiol (75-66-1) + benzoic acid (65-85-0,8013-63-6) → S-tert-butyl benzothioate (13291-44-6) + 3-acyl-2-oxazolone(R=Ph) (60759-50-4)

Guidance literature:

With triethylamine; 3-diphenyloxyphosphinyl-2-oxazolidinone; In acetonitrile; for 20h; Ambient temperature;

DOI:10.1246/cl.1981.1427

Reference yield:

benzoyl chloride (98-88-4) + 4-oxazolin-2-one (27584-70-9) → 3-acyl-2-oxazolone(R=Ph) (60759-50-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 10h; Yield given;

DOI:10.1016/S0040-4020(96)01077-0

upstream raw materials:

2-methylpropan-2-thiol

benzoic acid

Diphenyl 2-oxo-3-oxazolinylphosphonate

benzoyl chloride

Downstream raw materials:

2-cyano-3-oxo-3-phenyl-propionic acid ethyl ester

3,3'-dibenzoyl-4'-methoxy-5-(trichloromethyl)<4,5'-bioxazolidinyl>-2,2'-dione

benzoic acid methyl ester

Benzyl acetate