5-Methyl-5-phenethyl-imidazolidine-2,4-dione

Base Information

• Chemical Name: 5-Methyl-5-phenethyl-imidazolidine-2,4-dione
• CAS No.: 5472-90-2
• Molecular Formula: C₁₂H₁₄N₂O₂
• Molecular Weight: 218.255
• NSC Number: 240483,29622
• DSSTox Substance ID: DTXSID10283089
• Nikkaji Number: J2.397.917I
• ChEMBL ID: CHEMBL1869748
• Mol file: 5472-90-2.mol

Synonyms:5472-90-2;5-Methyl-5-phenethyl-imidazolidine-2,4-dione;5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione;5-Methyl-5-phenethylimidazolidine-2,4-dione;MLS002639289;CHEMBL1869748;NSC29622;5-methyl-5-phenethyl-hydantoin;SCHEMBL9584263;DTXSID10283089;ABQYGDKEPFRUBO-UHFFFAOYSA-N;HMS3089P17;BDBM50537704;NSC-29622;NSC240483;AKOS008029114;NSC-240483;91566-67-5;SMR001548734;CS-0219445;EC-000.2140;EN300-04038;SR-01000040086;SR-01000040086-1;Z56891268

Chemical Property of 5-Methyl-5-phenethyl-imidazolidine-2,4-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.145g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)NC(=O)N1)CCC2=CC=CC=C2

Technology Process of 5-Methyl-5-phenethyl-imidazolidine-2,4-dione

There total 5 articles about 5-Methyl-5-phenethyl-imidazolidine-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: 98.0%

potassium cyanide + 4-Phenyl-2-butanone (2550-26-7) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) → 5-methyl-5-phenethyl-imidazolidine-2,4-dione (5472-90-2,142777-72-8)

Guidance literature:

In ethanol; water; at 20 ℃; for 24h; Temperature; chemoselective reaction;

DOI:10.1016/j.tetlet.2016.01.054

Reference yield: 71.0%

potassium cyanide (151-50-8) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + N-benzyl-2-methylene-aziridine (188818-06-6) + benzylmagnesium chloride (6921-34-2) → 5-methyl-5-phenethyl-imidazolidine-2,4-dione (5472-90-2,142777-72-8)

Guidance literature:

N-benzyl-2-methylene-aziridine; benzylmagnesium chloride; copper(l) iodide; In tetrahydrofuran; at -30 - 20 ℃; for 18h;

potassium cyanide; ammonium carbonate; In tetrahydrofuran; ethanol; water; at 75 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.10.135

Reference yield:

→ 5-methyl-5-phenethyl-imidazolidine-2,4-dione (5472-90-2,142777-72-8)

Guidance literature:

DOI:10.1021/ja01345a041

upstream raw materials:

4-Phenyl-2-butanone

potassium cyanide

ammonium carbonate

N-benzyl-2-methylene-aziridine

Downstream raw materials:

2-amino-2-methyl-4-phenyl-butyric acid