2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-

Base Information

• Chemical Name: 2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-
• CAS No.: 77671-30-8
• Molecular Formula: C11H10N2O3
• Molecular Weight: 218.212
• ChEMBL ID: CHEMBL284236
• DSSTox Substance ID: DTXSID80574436
• Wikidata: Q82463473

Synonyms:77671-30-8;2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-;4-(4-hydroxybenzoyl)-5-methyl-1,3-dihydroimidazol-2-one;CHEMBL284236;SCHEMBL5457930;DTXSID80574436;JTFOBZVBRCBPKD-UHFFFAOYSA-N;5-[(4-hydroxyphenyl)carbonyl]-4-methyl-4-imidazolin-2-one;1,3-Dihydro-4-(4-hydroxybenzoyl)-5-methyl-2H-imidazol-2-one;4-(4-Hydroxybenzoyl)-5-methyl-1,3-dihydro-2H-imidazol-2-one

Chemical Property of 2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-

There total 3 articles about 2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl- 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: 12.0%

4-methyl-1,3-dihydro-imidazol-2-one (1192-34-3) + 4-hydroxybenzoyl chloride (28141-24-4) → 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-2H-imidazol-2-one (77671-30-8)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 60 - 65 ℃; for 6h;

DOI:10.1021/jm00354a017

Reference yield:

4-methyl-5-{[4-(phenylmethoxy)phenyl]carbonyl}-4-imidazolin-2-one (721966-65-0) → 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-2H-imidazol-2-one (77671-30-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; under 2585.81 Torr;

Reference yield:

1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-imidazol-2-one (77671-29-5) → 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-2H-imidazol-2-one (77671-30-8)

Guidance literature:

With pyridine hydrochloride;

upstream raw materials:

4-methyl-1,3-dihydro-imidazol-2-one

4-hydroxybenzoyl chloride

4-methyl-5-{[4-(phenylmethoxy)phenyl]carbonyl}-4-imidazolin-2-one

1,3-dihydro-4-(4-methoxybenzoyl)-5-methyl-2H-imidazol-2-one

Downstream raw materials:

4-methyl-5-{[4-(oxiran-2-ylmethoxy)phenyl]carbonyl}-4-imidazolin-2-one

ethtyl 2-{4-[(5-methyl-2-oxo-4-imidazolin-4-yl)carbonyl]phenoxy}acetate

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