1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone
• CAS No.: 56609-15-5
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• European Community (EC) Number: 867-447-9
• DSSTox Substance ID: DTXSID10456655
• Nikkaji Number: J1.911.024I
• Wikidata: Q82279210
• Mol file: 56609-15-5.mol

Synonyms:1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone;56609-15-5;1-(3-bromo-2-hydroxy-5-methylphenyl)ethan-1-one;2'-Hydroxy-3'-bromo-5'methylacetophenone;SCHEMBL909607;DTXSID10456655;2-Acetyl-4-methyl-6-bromophenol;ARARNHPPXNXRPT-UHFFFAOYSA-N;MFCD00464334;AKOS011655145;WS-00287;CS-0434864;EN300-217930;F50433;1-(3-Bromo-2-hydroxy-5-methylphenyl)-1-ethanone;Z979488360

Chemical Property of 1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99%min. ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromo-2-hydroxy-5-methylphenyl)ethanone

There total 9 articles about 1-(3-Bromo-2-hydroxy-5-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: 93.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) → 3'-bromo-2'-hydroxy-5'-methylacetophenone (56609-15-5)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)84749-8

Reference yield:

3-Brom-4-acetoxytoluol (86614-21-3) → 3'-bromo-2'-hydroxy-5'-methylacetophenone (56609-15-5)

Guidance literature:

With aluminium trichloride; In benzene; at 100 ℃;

Reference yield:

p-methylanizole (104-93-8) → 3'-bromo-2'-hydroxy-5'-methylacetophenone (56609-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / AlCl₃ / CH₂Cl₂

2: 93 percent / N-bromosuccinimide / dimethylformamide

With N-Bromosuccinimide; aluminium trichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)84749-8

upstream raw materials:

5-methyl-2-hydroxyacetophenone

3-Brom-4-acetoxytoluol

p-methylanizole

2-bromo-p-cresol

Downstream raw materials:

β-(2'-Furyl)-2-hydroxy-3-bromo-5-methylacrylophenone

(E)-1-(3-Bromo-2-hydroxy-5-methyl-phenyl)-3-thiophen-2-yl-propenone

Thiophene-2-carboxylic acid 2-acetyl-6-bromo-4-methyl-phenyl ester

C₂₀H₁₈Br₂N₄O₂S