3-(2,6-Dimethylphenyl)-1-ethyl-2-methylimidazolidin-4-one

Base Information

• Chemical Name: 3-(2,6-Dimethylphenyl)-1-ethyl-2-methylimidazolidin-4-one
• CAS No.: 32845-42-4
• Molecular Formula: C14H20N2O
• Molecular Weight: 232.3214
• DSSTox Substance ID: DTXSID00954493
• Mol file: 32845-42-4.mol

Synonyms:N'-ethyl-2-methyl-N(3)-(2,6-dimethylphenyl)-4- imidazolidinone

Chemical Property of 3-(2,6-Dimethylphenyl)-1-ethyl-2-methylimidazolidin-4-one

Chemical Property:

• Vapor Pressure: 2.2E-07mmHg at 25°C
• Boiling Point: 423.6°Cat760mmHg
• Flash Point: 193.2°C
• Density: 1.048g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.157563266
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC(=O)N(C1C)C2=C(C=CC=C2C)C

Technology Process of 3-(2,6-Dimethylphenyl)-1-ethyl-2-methylimidazolidin-4-one

There total 7 articles about 3-(2,6-Dimethylphenyl)-1-ethyl-2-methylimidazolidin-4-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: 95.0%

lidocaine hydrochloride (73-78-9) → 1-ethyl-2-methyl-3-(2,6-dimethylphenyl)imidazolidin-4-one (32845-42-4)

Guidance literature:

With glucose dehydrogenase; D-glucose; cytochrome P_450BM3 R₄₇L/Y₅₁F/A₁₉₁T/N₂₃₉H/I₂₅₉V/A₂₇₆T/A₃₃₀W/L₃₅₃I mutant; oxygen; β-nicotinamide adenine dinucleotide phosphate sodium salt; In ethanol; at 25 ℃; for 2h; pH=8.5; Enzymatic reaction;

DOI:10.1002/chem.201502020

Reference yield: 80.0%

N-(2,6-dimethylphenyl)-2-ethylaminoacetamide (7728-40-7) + acetaldehyde (75-07-0,9002-91-9) → 1-ethyl-2-methyl-3-(2,6-dimethylphenyl)imidazolidin-4-one (32845-42-4)

Guidance literature:

In dichloromethane; acetonitrile; at 20 ℃; for 3h;

Reference yield: 62.0%

2-((1-cyanoethyl)(ethyl)amino)-N-(2,6-dimethylphenyl)-acetamide → 1-ethyl-2-methyl-3-(2,6-dimethylphenyl)imidazolidin-4-one (32845-42-4)

Guidance literature:

With sodium tetrahydroborate; cobalt(II) chloride; In methanol; at 20 ℃; for 24h;

DOI:10.1021/acs.joc.8b01700

upstream raw materials:

2-diethylamino-N-(2,6-dimethylphenyl)-acetamide

N-(2,6-dimethylphenyl)-2-ethylaminoacetamide

acetaldehyde

lidocaine hydrochloride

Refernces

• 1、 Ren, Xinkun,Yorke, Jake A.,Taylor, Emily,Zhang, Ting,Zhou, Weihong,Wong, Luet Lok. "Drug Oxidation by Cytochrome P450BM3: Metabolite Synthesis and Discovering New P450 Reaction Types". . p. 15039 - 15047. Retrieved 2015/10/20.