1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one

Base Information

• Chemical Name: 1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one
• CAS No.: 55736-71-5
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.03800
• DSSTox Substance ID: DTXSID00556991
• Wikidata: Q82438730

Synonyms:1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one;55736-71-5;1-(3,4-Dichloro-2-hydroxyphenyl)ethanone;SCHEMBL9501959;DTXSID00556991;AKOS005363285;CS-0133075;EN300-65809;G21262;Z1021471392

Chemical Property of 1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one

Chemical Property:

• Melting Point: 113–114°C
• PSA: 37.30000
• LogP: 2.90160
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-dichloro-2-hydroxyphenyl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one

There total 2 articles about 1-(3,4-Dichloro-2-hydroxyphenyl)ethan-1-one 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: 75.0%

2,3-dichlorophenyl acetate (61925-85-7) → 2-hydroxy-3,4-dichloroacetophenone (55736-71-5)

Guidance literature:

With aluminium trichloride; at 130 - 140 ℃; for 2h;

Reference yield: 8.7%

2-benzyloxy-3,4-dichloroacetophenone (120125-69-1) → 2-hydroxy-3,4-dichloroacetophenone (55736-71-5) + 2-benzyloxy-3,4-dichloro-1-hydroxybenzene (103829-60-3)

Guidance literature:

With peracetic acid; In acetic acid; at 50 ℃; for 23h;

DOI:10.1248/cpb.36.3404

Reference yield: 49.0%

2-hydroxy-3,4-dichloroacetophenone (55736-71-5) + N,N'-Thionyldiimidazole (3005-50-3) → 2,3-Dichloro-6-(1-imidazol-1-yl-vinyl)-phenol (85128-36-5)

Guidance literature:

In dichloromethane; Ambient temperature;

DOI:10.1021/jm00375a010

upstream raw materials:

2-benzyloxy-3,4-dichloroacetophenone

2,3-dichlorophenyl acetate

Downstream raw materials:

2-hydroxy-3,4-dichloro-5-(2-thenoyl)acetophenone

2,3-Dichloro-6-(1-imidazol-1-yl-vinyl)-phenol

3,4-dichloro-2-hydroxybenzoic acid

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