Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-

Base Information

• Chemical Name: Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-
• CAS No.: 64794-45-2
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID20446406
• Nikkaji Number: J354.766C
• Wikidata: Q63391577
• Mol file: 64794-45-2.mol

Synonyms:3-Acetyl-2,5,6-trimethylhydroquinone;64794-45-2;Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-;acetyl-trimethylhydroquinone;SCHEMBL5838924;DTXSID20446406;ADMGWHTWSYEIOQ-UHFFFAOYSA-N;Q63391577

Chemical Property of Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-

Chemical Property:

• PSA: 57.53000
• LogP: 2.22560
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1O)C)C(=O)C)O)C

Technology Process of Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-

There total 3 articles about Ethanone, 1-(2,5-dihydroxy-3,4,6-trimethylphenyl)- 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: 86%

2,4,5,7,8-pentamethyl-4H-1,3-benzodioxin-6-ol → 3,4,6-trimethyl-2,5-dihydroxyacetophenone (64794-45-2)

Guidance literature:

With potassium dichromate; dimedone; In ethanol; water; at 40 - 80 ℃; for 1.16667h; Further Variations:; Reagents; Temperatures; Solvents; reaction times; Product distribution;

DOI:10.1021/jo016125j

Reference yield:

2-(1-hydroxyethyl)-3,5,6-trimethylbenzo-1,4-quinone → 3,4,6-trimethyl-2,5-dihydroxyacetophenone (64794-45-2)

Guidance literature:

With hydrogenchloride; pH=0; Further Variations:; pH-values; Kinetics;

DOI:10.1021/jo016125j

Reference yield:

aluminium trichloride (7446-70-0) + 2,3,5-trimethyl-1,4-hydroquinone diacetate (7479-28-9) → 3,4,6-trimethyl-2,5-dihydroxyacetophenone (64794-45-2)

Guidance literature:

at 220 ℃;

upstream raw materials:

aluminium trichloride

2,3,5-trimethyl-1,4-hydroquinone diacetate

Downstream raw materials:

2-ethyl-3,5,6-trimethyl-hydroquinone

2,3-dihydro-2-phenyl-6-hydroxy-2,5,7,8-tetramethyl-4H-1-benzopyran-4-one

Refernces