6-Fluoro-2-methylchromone

Base Information

• Chemical Name: 6-Fluoro-2-methylchromone
• CAS No.: 75487-84-2
• Molecular Formula: C10H7 F O2
• Molecular Weight: 178.163
• DSSTox Substance ID: DTXSID20391664
• Wikidata: Q82189291
• Mol file: 75487-84-2.mol

Synonyms:6-Fluoro-2-methylchromone;75487-84-2;6-fluoro-2-methylchromen-4-one;6-FLUORO-2-METHYL-4H-CHROMEN-4-ONE;4H-1-Benzopyran-4-one,6-fluoro-2-methyl-;SCHEMBL266461;DTXSID20391664;6-Fluoro-2-methylchromone, 97%;MFCD03701513;AKOS015916394;6-FLUORO-2-METHYLCHROMONE 97;SY311286

Chemical Property of 6-Fluoro-2-methylchromone

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Refractive Index: 1.551
• Boiling Point: 259.8°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 30.21000
• Density: 1.279g/cm³
• LogP: 2.24050
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.04300762
• Heavy Atom Count: 13
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

6-Fluoro-2-methylchromone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(O1)C=CC(=C2)F

Technology Process of 6-Fluoro-2-methylchromone

There total 2 articles about 6-Fluoro-2-methylchromone 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: 70.0%

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) → 6-fluoro-2-methyl-4H-chromen-4-one (75487-84-2)

Guidance literature:

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one; ethanoate; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.0833333h; Reflux; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1039/c8cc07787h

Reference yield:

→ 6-fluoro-2-methyl-4H-chromen-4-one (75487-84-2)

Guidance literature:

6-Amino-2-methylchromon, 1) Umwandlung ins Diazonium-Salz, 2) HBF4;

Reference yield: 74.0%

6-fluoro-2-methyl-4H-chromen-4-one (75487-84-2) + phenylboronic acid (98-80-6) → C16H13FO2

Guidance literature:

With ammonium hexafluorophosphate; palladium(II) trifluoroacetate; oxygen; (S)-3-(2,6-dimethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline; In water; at 70 ℃; for 20h; enantioselective reaction;

DOI:10.1039/d0sc00412j

upstream raw materials:

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

Refernces