3',5'-Dichloro-4'-hydroxyacetophenone

Base Information

• Chemical Name: 3',5'-Dichloro-4'-hydroxyacetophenone
• CAS No.: 17044-70-1
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 2914700090
• European Community (EC) Number: 241-113-7
• UNII: L8A3DLH5C2
• DSSTox Substance ID: DTXSID20168858
• Nikkaji Number: J318.332G
• Wikidata: Q83038468
• Mol file: 17044-70-1.mol

Synonyms:17044-70-1;1-(3,5-dichloro-4-hydroxyphenyl)ethanone;3',5'-Dichloro-4'-hydroxyacetophenone;1-(3,5-Dichloro-4-hydroxyphenyl)ethan-1-one;EINECS 241-113-7;L8A3DLH5C2;3,5-Dichloro-4-hydroxy-acetophenone;3,5-DICHLORO-4-HYDROXYACETOPHENONE;UNII-L8A3DLH5C2;2,6-dichloro-4-acetylphenol;4-acetyl-2,6-dichlorophenol;SCHEMBL3243039;DTXSID20168858;MFCD00016421;AKOS016007378;AS-64518;CS-0196418;D5020;FT-0637480;Ethanone, 1-(3,5-dichloro-4-hydroxyphenyl)-;EN300-1276596;A811201;3',5'-Dichloro-4'-hydroxyacetophenone, AldrichCPR;t-Butyl(E)-7-[3'-(4''-fluorophenyl)-1'methylethyl-indol-2'yl]-3hydroxy-5-oxo-6-heptenoate

Chemical Property of 3',5'-Dichloro-4'-hydroxyacetophenone

Chemical Property:

• Vapor Pressure: 6.14E-05mmHg at 25°C
• Melting Point: 162.0 to 166.0 °C
• Boiling Point: 335.5°Cat760mmHg
• Flash Point: 156.7°C
• PSA: 37.30000
• Density: 1.43g/cm³
• LogP: 2.90160
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3',5'-Dichloro-4'-hydroxyacetophenone >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-38
• Safety Statements: 26

MSDS Files:

Useful:

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

Technology Process of 3',5'-Dichloro-4'-hydroxyacetophenone

There total 9 articles about 3',5'-Dichloro-4'-hydroxyacetophenone 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: 83.0%

2,6-dichlorophenyl acetate (28165-71-1) → 3',5'-dichloro-4'-hydroxyacetophenone (17044-70-1)

Guidance literature:

With trifluorormethanesulfonic acid; at 40 ℃; for 16h; Cooling with ice;

DOI:10.1039/d1cc04408g

Reference yield: 75.0%

4-Hydroxyacetophenone (99-93-4) → 3',5'-dichloro-4'-hydroxyacetophenone (17044-70-1)

Guidance literature:

With chlorine; In water; acetic acid;

DOI:10.1016/j.bmcl.2013.07.017

Reference yield:

2,6-Dichlorophenol (87-65-0) → 3',5'-dichloro-4'-hydroxyacetophenone (17044-70-1)

Guidance literature:

With hydrogenchloride; sulfuric acid; aluminium trichloride; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; acetic anhydride; nitrobenzene;

upstream raw materials:

2,6-dichlorophenyl acetate

aluminium trichloride

3,5-dichloro-4-hydroxybenzoic acid

3,5-dichloro-4-methoxybenzoic acid

Downstream raw materials:

2-(3,5-dichloro-4-hydroxy-phenyl)-butan-2-ol

Thiophosphoric acid O-(4-acetyl-2,6-dichloro-phenyl) ester O'-ethyl ester S-propyl ester

2-Bromo-1-(3,5-dichloro-4-hydroxy-phenyl)-ethanone

2,6-Dichloro-4-[6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-en-5-yl]-phenol