1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3,5-Difluoro-4-hydroxyphenyl)ethanone
• CAS No.: 133186-55-7
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.131
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID70569134
• Nikkaji Number: J1.298.341G
• Wikidata: Q82456211
• Mol file: 133186-55-7.mol

Synonyms:133186-55-7;1-(3,5-difluoro-4-hydroxyphenyl)ethanone;3',5'-DIFLUORO-4'-HYDROXYACETOPHENONE;Ethanone, 1-(3,5-difluoro-4-hydroxyphenyl)-;1-(3,5-DIFLUORO-4-HYDROXYPHENYL)ETHAN-1-ONE;SCHEMBL1373573;DTXSID70569134;QPXWOHYRUCULSO-UHFFFAOYSA-N;MFCD09787482;(3,5-Difluoro-4-hydroxy)acetophenone;AKOS006327557;1-(3,5-Difluoro-4-hydroxy-phenyl)ethanone;CS-0272056;EN300-1276865;A806577;1-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]ethanone

Chemical Property of 1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

Chemical Property:

• PSA: 37.30000
• LogP: 1.87300
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3,5-Difluoro-4-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,5-Difluoro-4-hydroxyphenyl)ethanone

There total 5 articles about 1-(3,5-Difluoro-4-hydroxyphenyl)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: 91.0%

1-(3,5-difluoro-4-methoxy-phenyl)ethanone (170570-79-3) → 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (133186-55-7)

Guidance literature:

With hydrogen bromide; In water; for 30h; Heating / reflux;

Reference yield: 73.0%

2',6'-difluorophenyl acetate (36914-78-0) → 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (133186-55-7)

Guidance literature:

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

DOI:10.1039/d1cc04408g

Reference yield:

2,6-difluorophenol (28177-48-2) → 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (133186-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / pyridine / toluene / 5 h

2: 52 percent / AlCl₃ / nitrobenzene / 5 h / 140 - 150 °C

With pyridine; aluminium trichloride; In nitrobenzene; toluene;

DOI:10.1016/0022-1139(93)02931-4

upstream raw materials:

2',6'-difluorophenyl acetate

4-Hydroxyacetophenone

1-(3,5-difluoro-4-methoxy-phenyl)ethanone

2,6-difluorophenol

Downstream raw materials:

4-(2-bromo-ethoxy)-3,5-difluoro-benzoic acid ethyl ester

1-[4-(2-bromo-ethoxy)-3,5-difluoro-phenyl]-ethanone