6-Fluorochromone

Base Information

• Chemical Name: 6-Fluorochromone
• CAS No.: 105300-38-7
• Molecular Formula: C9H5 F O2
• Molecular Weight: 164.136
• Hs Code.: 2914700090
• European Community (EC) Number: 811-035-3
• DSSTox Substance ID: DTXSID60350992
• Nikkaji Number: J2.867.520H
• Wikidata: Q82127074
• Metabolomics Workbench ID: 73925
• ChEMBL ID: CHEMBL4528485
• Mol file: 105300-38-7.mol

Synonyms:6-Fluorochromone;105300-38-7;6-Fluoro-4H-chromen-4-one;6-fluorochromen-4-one;6-Fluoro-4H-1-benzopyran-4-one;6-Fluorochromone, 97%;SCHEMBL1094182;CHEMBL4528485;DTXSID60350992;WHIGSYZUTMYUAX-UHFFFAOYSA-N;6-fluoro-4-oxo-4h-1-benzopyran;MFCD03094002;AKOS015889586;FS-1293;CS-0063923;F0904;D73314;EN300-133307;A801187;J-001378

Chemical Property of 6-Fluorochromone

Chemical Property:

• Melting Point: 166-169 °C(lit.)
• Boiling Point: 249.7°Cat760mmHg
• Flash Point: 101.8°C
• PSA: 30.21000
• Density: 1.353g/cm³
• LogP: 1.93210
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.02735756
• Heavy Atom Count: 12
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

6-Fluorochromone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=O)C=CO2
• Uses: 6-Fluorochromone may be used to synthesize:6-fluoro-3-[hydroxy(6-methylpyridin-2-yl)methyl]chromone6-fluoro-3-[hydroxy(pyridin-2-yl)methyl]chromone 6-fluoro-3-[hydroxy(quinolin-2-yl)methyl]chromone

Technology Process of 6-Fluorochromone

There total 10 articles about 6-Fluorochromone 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: 92.0%

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) + formic acid ethyl ester (109-94-4) → 6-fluoro-4H-chromen-4-one (105300-38-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; Inert atmosphere;

DOI:10.1039/d1cc03708k

Reference yield: 78.0%

6-fluoro-4-chromanone (66892-34-0) → 6-fluoro-4H-chromen-4-one (105300-38-7)

Guidance literature:

With palladium(II) trifluoroacetate; oxygen; acetic acid; dimethyl sulfoxide; at 80 ℃; for 36h; under 760.051 Torr;

DOI:10.1021/ja206575j

Reference yield:

3-(dimethylamino)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one → 6-fluoro-4H-chromen-4-one (105300-38-7)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 90 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1055/s-0036-1591898

upstream raw materials:

6-fluoro-4-chromanone

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)chromen-4-one

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

formic acid ethyl ester

Downstream raw materials:

2-(6-fluoro-4-oxo-4H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione

6-fluoro-2-phenylchromen-4-one

6-fluoro-2-phenylchroman-4-one

(E)-5-(1,2-diphenylvinyl)-6-fluoro-4H-chromen-4-one