2'-Fluoro-4'-hydroxyacetophenone

Base Information

• Chemical Name: 2'-Fluoro-4'-hydroxyacetophenone
• CAS No.: 98619-07-9
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29143990
• DSSTox Substance ID: DTXSID20369287
• Nikkaji Number: J1.856.914K
• Wikidata: Q72479906
• ChEMBL ID: CHEMBL4548054
• Mol file: 98619-07-9.mol

Synonyms:98619-07-9;2'-Fluoro-4'-hydroxyacetophenone;1-(2-fluoro-4-hydroxyphenyl)ethanone;4-Hydroxy-2-fluoroacetophenone;2-fluoro-4-hydroxyacetophenone;1-(2-fluoro-4-hydroxyphenyl)-1-ethanone;1-(2-fluoro-4-hydroxyphenyl)ethan-1-one;Ethanone, 1-(2-fluoro-4-hydroxyphenyl)-;4'-Hydroxy-2'-fluoroacetophenone;MFCD00142713;1-(2-fluoro-4-hydroxy-phenyl)ethanone;SCHEMBL310878;CHEMBL4548054;2-Fluoro-4-hydroxy acetophenone;DTXSID20369287;ZCZIRBNZMFUCOH-UHFFFAOYSA-N;(2-fluoro-4-hydroxyphenyl)ethanone;CS-M1008;CL8641;AKOS005175077;AC-8955;FS-1201;1-(2-fluoro-4-hydroxy-phenyl)-ethanone;2'-FLUOR-4'-HYDROXYACETOPHENONE;SY048930;AM20060155;F0418;FT-0610912;2'-Fluoro-4'-hydroxyacetophenone, AldrichCPR;EN300-70201;A845886;Z1123826135;2 inverted exclamation mark -Fluoro-4 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 2'-Fluoro-4'-hydroxyacetophenone

Chemical Property:

• Appearance/Colour: slightly beige to beige-brown powder
• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 120-124 °C
• Refractive Index: 1.529
• Boiling Point: 292.7 °C at 760 mmHg
• PKA: 7.17±0.18(Predicted)
• Flash Point: 130.8 °C
• PSA: 37.30000
• Density: 1.247 g/cm³
• LogP: 1.73390
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

2''-Fluoro-4''-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22-52
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)O)F
• Uses: 2'-Fluoro-4'-hydroxyacetophenone is used in used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2'-Fluoro-4'-hydroxyacetophenone

There total 4 articles about 2'-Fluoro-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: 80.0%

3-fluorophenyl acetate (701-83-7) → 1-(2-fluoro-4-hydroxyphenyl)ethanone (98619-07-9)

Guidance literature:

With aluminum (III) chloride; nitromethane; In chloroform; at 20 - 40 ℃; for 15h; Solvent; Temperature;

DOI:10.1080/00397911.2018.1564832

Reference yield: 79.0%

2',4'-difluoroacetophenone (364-83-0) → 4-Fluoro-2-hydroxyacetophenone (1481-27-2) + 1-(2-fluoro-4-hydroxyphenyl)ethanone (98619-07-9)

Guidance literature:

2',4'-difluoroacetophenone; With sodium hydroxide; calcium hydroxide; In water; for 18h; Reflux;

With hydrogenchloride; In water;

DOI:10.1080/00304940903163723

Reference yield:

3-fluorophenyl acetate (701-83-7) → 4-Fluoro-2-hydroxyacetophenone (1481-27-2) + 1-(2-fluoro-4-hydroxyphenyl)ethanone (98619-07-9)

Guidance literature:

With aluminum (III) chloride; In nitrobenzene; at 90 ℃; Solvent; Temperature;

DOI:10.1080/00397911.2018.1564832

upstream raw materials:

2',4'-difluoroacetophenone

3-fluorophenol

3-fluorophenyl acetate

Downstream raw materials:

3-<(4-acetyl-3-fluorophenoxy)methyl>nitrobenzene

1-(2-fluoro-4-heptyloxy-phenyl)-ethanone

fluoro-4-octyloxyacetophenone

1-(2-fluoro-4-nonyloxy-phenyl)-ethanone