Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-

Base Information

• Chemical Name: Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-
• CAS No.: 80547-76-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID30408151
• Wikidata: Q82213530
• Mol file: 80547-76-8.mol

Synonyms:80547-76-8;Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-;1-(3,4-dimethoxy-5-methylphenyl)ethanone;1-(3,4-dimethoxy-5-methylphenyl)ethan-1-one;SCHEMBL786462;DTXSID30408151;CS-0263745;EN300-8962405;Z1862017419

Chemical Property of Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)OC)C(=O)C

Technology Process of Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-

There total 4 articles about Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)- 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: 84.0%

3-methyl-4,5-dihydroxyacetophenone (80547-86-0) + dimethyl sulfate (77-78-1) → 3-methyl-4,5-dimethoxyacetophenone (80547-76-8)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

DOI:10.1021/jm00345a013

Reference yield:

3-methylpyrocatechol diacetate (35236-40-9) → 3-methyl-4,5-dimethoxyacetophenone (80547-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / AlCl₃ / chlorobenzene / 5 h / 110 °C

2: 84 percent / K₂CO₃ / acetone / 3 h / Heating

With aluminium trichloride; potassium carbonate; In chlorobenzene; acetone;

DOI:10.1021/jm00345a013

Reference yield:

3-methylbenzene-1,2-diol (488-17-5) → 3-methyl-4,5-dimethoxyacetophenone (80547-76-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / NaOAc / 2 h / Heating

2: 71 percent / AlCl₃ / chlorobenzene / 5 h / 110 °C

3: 84 percent / K₂CO₃ / acetone / 3 h / Heating

With aluminium trichloride; sodium acetate; potassium carbonate; In chlorobenzene; acetone;

DOI:10.1021/jm00345a013

upstream raw materials:

3-methyl-4,5-dihydroxyacetophenone

dimethyl sulfate

3-methylpyrocatechol diacetate

3-methylbenzene-1,2-diol

Downstream raw materials:

3-methyl-4,5-dimethoxybenzoic acid

(3,4-dimethoxy-5-methylphenyl)methanol

2-nitro-3-methyl-4,5-dimethoxy-β-nitrostyrene