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

Base Information

• Chemical Name: Ethanone, 1-(3,4-dihydroxy-5-methylphenyl)-
• CAS No.: 80547-86-0
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• European Community (EC) Number: 844-435-1
• DSSTox Substance ID: DTXSID60496425
• Wikidata: Q82345260
• Mol file: 80547-86-0.mol

Synonyms:80547-86-0;1-(3,4-dihydroxy-5-methylphenyl)ethanone;Ethanone, 1-(3,4-dihydroxy-5-methylphenyl)-;1-(3,4-Dihydroxy-5-methylphenyl)ethan-1-one;SCHEMBL13144722;DTXSID60496425;AKOS022637159;EN300-255663;Z1513616099

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

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about Ethanone, 1-(3,4-dihydroxy-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: 71.0%

3-methylpyrocatechol diacetate (35236-40-9) → 3-methyl-4,5-dihydroxyacetophenone (80547-86-0)

Guidance literature:

With aluminium trichloride; In chlorobenzene; at 110 ℃; for 5h;

DOI:10.1021/jm00345a013

Reference yield:

3-methylbenzene-1,2-diol (488-17-5) → 3-methyl-4,5-dihydroxyacetophenone (80547-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / NaOAc / 2 h / Heating

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

With aluminium trichloride; sodium acetate; In chlorobenzene;

DOI:10.1021/jm00345a013

Reference yield:

→ 3-methyl-4,5-dihydroxyacetophenone (80547-86-0)

Guidance literature:

3-Methyl-brenzcatechin-diacetat, wssfr. AlCl3/NaCl <30 min, 200grad>, Fries'sche-Verschiebung;

upstream raw materials:

3-methylpyrocatechol diacetate

3-methylbenzene-1,2-diol

Downstream raw materials:

1,2-dimethoxy-3-methyl-5-(2-nitro-vinyl)benzene

3,4-dimethoxy-5-methylbenzaldehyde

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

3-methyl-4,5-dimethoxybenzoic acid