1-(2,4-Difluorophenyl)-2-hydroxyethanone

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)-2-hydroxyethanone
• CAS No.: 145240-42-2
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.13
• European Community (EC) Number: 869-926-8
• DSSTox Substance ID: DTXSID80570493
• Nikkaji Number: J2.073.423J
• Wikidata: Q82457965
• Mol file: 145240-42-2.mol

Synonyms:145240-42-2;1-(2,4-difluorophenyl)-2-hydroxyethanone;1-(2,4-difluorophenyl)-2-hydroxyethan-1-one;2',4'-DIFLUORO-2-HYDROXYACETOPHENONE;2,4-DIFLUORO-2-HYDROXYACETOPHENONE;Ethanone, 1-(2,4-difluorophenyl)-2-hydroxy-;Ethanone,1-(2,4-difluorophenyl)-2-hydroxy-;DTXSID80570493;AC4317;MFCD06203064;AKOS011306090;SB85231;SY130962;CS-0138022;EN300-115291;Z906206870;2 inverted exclamation mark ,4 inverted exclamation mark -Difluoro-2-hydroxyacetophenone

Chemical Property of 1-(2,4-Difluorophenyl)-2-hydroxyethanone

Chemical Property:

• PSA: 37.30000
• LogP: 1.13980
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2'',4''-Difluoro-2-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)C(=O)CO

Technology Process of 1-(2,4-Difluorophenyl)-2-hydroxyethanone

There total 7 articles about 1-(2,4-Difluorophenyl)-2-hydroxyethanone 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: 69.0%

2-Acetyloxy-1-(2,4-difluorophenyl)ethanone (122263-03-0) → 1-(2,4-difluorophenyl)-2-hydroxyethanone (145240-42-2)

Guidance literature:

With hydrogenchloride; In methanol; at 40 ℃; for 5h;

DOI:10.1246/bcsj.69.2625

Reference yield: 15.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4-difluorobenzaldehyde (1550-35-2) → 1-(2,4-difluorophenyl)-2-hydroxyethanone (145240-42-2)

Guidance literature:

With potassium phosphate buffer; thiamine diphosphate; magnesium sulfate; benzaldehyde lyase from Pseudomonas fluorescens; In dimethyl sulfoxide; at 37 ℃; pH=7.0; Enzymatic reaction;

DOI:10.1016/j.tet.2004.06.015

Reference yield:

2',4'-difluoroacetophenone (364-83-0) → 1-(2,4-difluorophenyl)-2-hydroxyethanone (145240-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / diethyl ether / 0 - 20 °C

2: sodium formate / methanol / Reflux

With bromine; sodium formate; In methanol; diethyl ether;

DOI:10.1039/C8CC06945J

upstream raw materials:

2-Acetyloxy-1-(2,4-difluorophenyl)ethanone

formaldehyd

2,4-difluorobenzaldehyde

2-chloro-1-(2,4-dichlorophenyl)ethanone

Downstream raw materials:

1-(2,4-Difluoro-phenyl)-2-methoxymethoxy-ethanone

(R)-2-(2,4-difluorophenyl)but-3-ene-1,2-diol

(R)-4-(2,4-difluorophenyl)-4-vinyl-1,3-dioxolane

4-(2,4-difluorophenyl)-4-vinyl-1,3-dioxolan-2-one