2-Phenyloxazol-5(4H)-one

Base Information

• Chemical Name: 2-Phenyloxazol-5(4H)-one
• CAS No.: 1199-01-5
• Deprecated CAS: 53766-22-6
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 2934999090
• European Community (EC) Number: 214-840-2
• NSC Number: 79500
• DSSTox Substance ID: DTXSID0061612
• Nikkaji Number: J217.040J
• Wikidata: Q27127174
• Metabolomics Workbench ID: 61047
• Mol file: 1199-01-5.mol

Synonyms:2-phenyloxazol-5-one;2-phenyloxazolone

Chemical Property of 2-Phenyloxazol-5(4H)-one

Chemical Property:

• Vapor Pressure: 3.3E-05mmHg at 25°C
• Melting Point: 89-92 °C
• Refractive Index: 1.548
• Boiling Point: 248.1 °C at 760 mmHg
• PKA: 2.56±0.20(Predicted)
• Flash Point: 117.8 °C
• PSA: 38.66000
• Density: 1.25 g/cm³
• LogP: 0.42560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Soluble in most common organic solvents.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2-PHENYL-2-OXAZOLIN-5-ONE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1C(=O)OC(=N1)C2=CC=CC=C2
• Uses: 2-Phenyl-5-oxazolone is a reagent used as a masked glycine equivalent and for the formation of heterocyclic structures, it can be used to produce 4-benzylidene-2-phenyl-4H-oxazol-5-one.

Technology Process of 2-Phenyloxazol-5(4H)-one

There total 34 articles about 2-Phenyloxazol-5(4H)-one 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%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) → 2-phenylazlactone (1199-01-5,53766-22-6)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.75h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03666

Reference yield: 44.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) → 2-phenylazlactone (1199-01-5,53766-22-6) + 1-benzoyl-3-(benzoylamino)-4-hydroxy-3-pyrrolin-2-one (83544-55-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 3h; Ambient temperature;

Reference yield:

Bz-Gly-ONPh (3101-11-9) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-phenylazlactone (1199-01-5,53766-22-6)

Guidance literature:

With water; at 25 ℃; Rate constant;

DOI:10.1039/P29860000163

upstream raw materials:

Hippuric Acid

acetic anhydride

dicyclohexyl-carbodiimide

methyl hippurate

Downstream raw materials:

(4Z)-4-benzylidene-2-phenyl-1,3-oxazol-5(4H)-one

1-benzoyl-3-benzoylamino-pyrrolidine-2,4-dione

2-phenyl-4-(2-furylmethylidene)-2-oxazolin-5-one

1-hippuroyl-3-methyl-1,3-dihydro-imidazole-2-thione