5-Ethyl-5-methylhydantoin

Base Information

• Chemical Name: 5-Ethyl-5-methylhydantoin
• CAS No.: 5394-36-5
• Deprecated CAS: 16820-12-5
• Molecular Formula: C6H10 N2 O2
• Molecular Weight: 142.158
• Hs Code.: 2933990090
• European Community (EC) Number: 226-402-8
• NSC Number: 1020
• UNII: 9434G2C47P
• DSSTox Substance ID: DTXSID9041368
• Nikkaji Number: J49.457G
• Wikidata: Q27271644
• ChEMBL ID: CHEMBL3186277
• Mol file: 5394-36-5.mol

Synonyms:5-ethyl-5-methylhydantoin

Chemical Property of 5-Ethyl-5-methylhydantoin

Chemical Property:

• Melting Point: 144-150 ºC
• Boiling Point: °Cat760mmHg
• PKA: 8.93±0.10(Predicted)
• Flash Point: °C
• PSA: 58.20000
• Density: 1.095 g/cm³
• LogP: 0.65210
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 190

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Ethyl-5-methylhydantoin 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)N1)C
• Uses: Reactant for synthesis of nociceptin/orphanin FQ analogues

Technology Process of 5-Ethyl-5-methylhydantoin

There total 14 articles about 5-Ethyl-5-methylhydantoin 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: 50.0%

tetra-n-butylammonium cyanide (10442-39-4) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + butanone (78-93-3) → 5-ethyl-5-methylimidazolidine-2,4-dione (5394-36-5,16820-12-5)

Guidance literature:

In ethanol; water; for 40h; Heating;

DOI:10.1016/j.bmc.2007.04.026

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) + butanone (78-93-3) → 2-amino-2-methylbutanenitrile (4475-95-0) + 5-ethyl-5-methylimidazolidine-2,4-dione (5394-36-5,16820-12-5)

Guidance literature:

at 350 ℃;

Reference yield:

2-hydroxy-2-methyl-butyronitrile (4111-08-4,73683-34-8) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) → 5-ethyl-5-methylimidazolidine-2,4-dione (5394-36-5,16820-12-5)

Guidance literature:

Heating / reflux;

upstream raw materials:

2-amino-2-methylbutanenitrile

2-hydroxy-2-methyl-butyronitrile

hydrogen cyanide

butanone

Downstream raw materials:

DL-isovaline

5-ethyl-5-methyl-3-phenylhydantoin