5-Phenyloxazolidine-2,4-dione

Base Information

• Chemical Name: 5-Phenyloxazolidine-2,4-dione
• CAS No.: 5841-63-4
• Molecular Formula: C9H7 N O3
• Molecular Weight: 177.159
• NSC Number: 633247,27303
• UNII: R4IZ4GP09U
• DSSTox Substance ID: DTXSID50875846
• Nikkaji Number: J68.912B
• Wikidata: Q27287785
• ChEMBL ID: CHEMBL1335
• Mol file: 5841-63-4.mol

Synonyms:5-PHENYLOXAZOLIDINE-2,4-DIONE;5841-63-4;5-Phenyl-2,4-oxazolidinedione;5-Phenyl-1,3-oxazolidine-2,4-dione;Pemoline-dione;2,4-Oxazolidinedione, 5-phenyl-;NSC 27303;PEMOLINE DIONE;5-phenyloxazolidinedione;UNII-R4IZ4GP09U;BRN 0152852;R4IZ4GP09U;NSC-27303;NSC633247;4-27-00-03335 (Beilstein Handbook Reference);C9H6NO3.Na;C9-H6-N-O3.Na;64047-25-2;NSC27303;CHEMBL1335;5-Phenyl-2,4-oxazolidindion;SCHEMBL7864463;DTXSID50875846;5-PHENYL-2,4-OXAZOLIDIONE;5-phenyl-1,3-oxazolane-2,4-dione;BDBM50240904;MFCD00068876;AKOS006271552;AB02795;HR-0342;NSC-633247;LS-100393;CS-0089839;FT-0673802;D81737;EN300-3186478;Q27287785;Z1198149953

Chemical Property of 5-Phenyloxazolidine-2,4-dione

Chemical Property:

• Melting Point: 120-122°C
• Boiling Point: °Cat760mmHg
• PKA: 5.51±0.70(Predicted)
• Flash Point: °C
• PSA: 55.40000
• Density: 1.332g/cm³
• LogP: 1.32290
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

5-Phenyloxazolidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=O)NC(=O)O2
• Uses: Pemoline (P220100) metabolite

Technology Process of 5-Phenyloxazolidine-2,4-dione

There total 28 articles about 5-Phenyloxazolidine-2,4-dione 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: 100.0%

urea (57-13-6) + hydroxy-phenyl-acetic acid ethyl ester (774-40-3,4358-88-7) → 5-phenyloxazolidine-2,4-dione (5841-63-4)

Guidance literature:

With sodium ethanolate; sodium hydride; In ethanol; at 0 ℃; for 2.5h; Reflux;

DOI:10.1007/s00044-011-9805-z

Reference yield: 90.0%

2-amino-5-phenyl-4-oxazolinone (2152-34-3,3469-01-0) → 5-phenyloxazolidine-2,4-dione (5841-63-4)

Guidance literature:

With sulfuric acid; for 0.5h; Heating;

DOI:10.1515/znb-2005-0806

Reference yield: 68.0%

5-phenyl-2,4,6-pyrimidinetrione (22275-34-9) → 5-phenyloxazolidine-2,4-dione (5841-63-4)

Guidance literature:

With sodium hydroxide; potassium dihydrogenphosphate; dihydrogen peroxide; In water; at 40 - 50 ℃; for 12h;

DOI:10.1007/BF00809193

upstream raw materials:

N-acetyl-N'-methylurea

hydroxy-phenyl-acetic acid ethyl ester

4-ethylmercapto-5-phenyl-3H-oxazole-2-thione

guanidine nitrate

Downstream raw materials:

4-(2,4-Dioxo-5-phenyl-oxazolidin-5-yl)-4H-pyridine-1-carboxylic acid ethyl ester

5--5-phenyl-2,4-oxazolidinedione

3-[2-(3-Methoxy-phenyl)-ethyl]-5-phenyl-oxazolidine-2,4-dione

4-(Dimethylamino)-1-(2-hydroxy-2-phenylacetyl)-1,3-diazaspiro<4.4>non-3-en-2-on