5-Phenyloxazol-2-OL

Base Information

• Chemical Name: 5-Phenyloxazol-2-OL
• CAS No.: 17107-25-4
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL4759874
• DSSTox Substance ID: DTXSID80937921
• Wikidata: Q82914147
• Mol file: 17107-25-4.mol

Synonyms:5-PHENYLOXAZOL-2-OL;17107-25-4;5-Phenyl-4-oxazolin-2-one;5-phenyl-3H-oxazol-2-one;5-PHENYL-3H-1,3-OXAZOL-2-ONE;2(3H)-Oxazolone, 5-phenyl-;4-Oxazolin-2-one, 5-phenyl-;5-Phenyl-1,3-oxazol-2-ol;SCHEMBL5154478;SCHEMBL8730865;CHEMBL4759874;DTXSID80937921;YYKBLLMGKYDQLB-UHFFFAOYSA-N;5-phenyl-1,3-oxazol-2(3H)-one;MFCD09835017;AKOS006329397;AB53084;C90416

Chemical Property of 5-Phenyloxazol-2-OL

Chemical Property:

• Melting Point: 217-219 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• PKA: 8.52±0.40(Predicted)
• PSA: 46.26000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 2.04720
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

KF002116:5-Phenyl-3H-oxazol-2-one 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CNC(=O)O2

Technology Process of 5-Phenyloxazol-2-OL

There total 8 articles about 5-Phenyloxazol-2-OL 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: 81.0%

(2S,3R)-3-Phenyl-oxirane-2-carbonyl azide (89848-92-0) → 5-phenyl-3H-oxazol-2-one (17107-25-4)

Guidance literature:

In benzene; for 2h; Heating;

DOI:10.1021/jo00186a030

Reference yield: 71.0%

3-(2-oxo-2-phenylethyl)thiazolidine-2,4-dione (88419-01-6) → 5-phenyl-3H-oxazol-2-one (17107-25-4)

Guidance literature:

With triethylamine; In ethanol; for 2h; Heating;

Reference yield:

2,4-dioxo-3-thiazolidinylmethyl phenyl ketone azine (88419-13-0) → 5-phenyl-3H-oxazol-2-one (17107-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / HCl conc. / ethanol / 2 h / Heating

2: 71 percent / triethylamine / aq. ethanol / 2 h / Heating

With hydrogenchloride; triethylamine; In ethanol;

upstream raw materials:

imidazole-1-carboxylic acid 2-oxo-2-phenyl-ethylamide

N-benzoyloxy-3-oxo-3-phenyl-propionamide

(2S,3R)-3-Phenyl-oxirane-2-carbonyl azide

3-(2-oxo-2-phenylethyl)thiazolidine-2,4-dione

Downstream raw materials:

2-oxo-5-phenyl-oxazole-3-carboxylic acid ethyl ester

2-oxo-N,5-diphenyl-oxazole-3-carboxamide

3-acetyl-5-phenyl-3H-oxazol-2-one

2-oxo-5-phenyl-oxazole-3-carboxylic acid methylamide