1-(2-Hydroxy-6-methylphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Hydroxy-6-methylphenyl)ethanone
• CAS No.: 41085-27-2
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2914501900
• DSSTox Substance ID: DTXSID20457158
• Nikkaji Number: J167.350E
• Wikidata: Q82279898
• ChEMBL ID: CHEMBL1240949
• Mol file: 41085-27-2.mol

Synonyms:1-(2-Hydroxy-6-methylphenyl)ethanone;41085-27-2;2'-Hydroxy-6'-methylacetophenone;Ethanone, 1-(2-hydroxy-6-methylphenyl)-;MFCD18397234;1-(2-hydroxy-6-methylphenyl)ethan-1-one;2-Hydroxy-6-methylacetophenon;2-Hydroxy-6-methylacetophenone;SCHEMBL1647027;CHEMBL1240949;DTXSID20457158;ZFUSOVIZZGBORZ-UHFFFAOYSA-N;CL9444;AKOS022173624;CS-W021205;DS-15569;SY031337;2 inverted exclamation mark -Hydroxy-6 inverted exclamation mark -methylacetophenone

Chemical Property of 1-(2-Hydroxy-6-methylphenyl)ethanone

Chemical Property:

• Melting Point: 93–98°C
• Boiling Point: 239.2±20.0 °C(Predicted)
• PKA: 10.27±0.10(Predicted)
• PSA: 37.30000
• Density: 1.106±0.06 g/cm3(Predicted)
• LogP: 1.90320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Hydroxy-6-methylphenyl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)O)C(=O)C

Technology Process of 1-(2-Hydroxy-6-methylphenyl)ethanone

There total 22 articles about 1-(2-Hydroxy-6-methylphenyl)ethanone 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: 87.0%

2-bromo-3-methylphenol (22061-78-5) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 2'-hydroxy-6'-methylacetophenone (41085-27-2)

Guidance literature:

2-bromo-3-methylphenol; tributyl(1-ethoxyvinyl)stannane; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 160 ℃; for 0.25h; Microwave irradiation;

With hydrogenchloride; water; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 76.0%

ethyl 2-hydroxy-6-methylbenzoate (6555-40-4) + methylmagnesium bromide (75-16-1) → 2'-hydroxy-6'-methylacetophenone (41085-27-2)

Guidance literature:

With triethylamine; In toluene; at 0 - 20 ℃;

DOI:10.1039/c5ob01478f

Reference yield: 72.0%

ethyl 2-hydroxy-6-methylbenzoate (6555-40-4) → 2'-hydroxy-6'-methylacetophenone (41085-27-2)

Guidance literature:

With methylmagnesium bromide; triethylamine; In diethyl ether; toluene; at 0 - 20 ℃; for 16h;

upstream raw materials:

1-Methyl-2-acetyl-3-methoxy-cyclohex-4-en

3-acetoxytoluene

1-(2-methoxy-6-methylphenyl)ethanone

2-hydroxy-6-methylbenzoic acid

Downstream raw materials:

1-(2-Methoxymethoxy-6-methyl-phenyl)-ethanone

(E)-3-(2-Chloro-phenyl)-1-(2-hydroxy-6-methyl-phenyl)-propenone

1-(2-benzyloxy-6-methyl-phenyl)-ethanone

(+)-[(1S)-1-(2-hydroxy-6-methylphenyl)ethyl]amine