6-Fluoro-3-formylchromone

Base Information

• Chemical Name: 6-Fluoro-3-formylchromone
• CAS No.: 69155-76-6
• Molecular Formula: C10H5FO3
• Molecular Weight: 192.146
• Hs Code.: 2914700090
• European Community (EC) Number: 677-011-8
• DSSTox Substance ID: DTXSID20350993
• Nikkaji Number: J2.484.253C
• Wikidata: Q72475512
• Metabolomics Workbench ID: 73926
• ChEMBL ID: CHEMBL87768
• Mol file: 69155-76-6.mol

Synonyms:6-fluoro-3-formylchromone

Chemical Property of 6-Fluoro-3-formylchromone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 155-160 °C(lit.)
• Refractive Index: 1.658
• Boiling Point: 313.7 °C at 760 mmHg
• Flash Point: 138.9 °C
• PSA: 47.28000
• Density: 1.526 g/cm³
• LogP: 1.74460
• Sensitive.: Air Sensitive
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.02227218
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=O)C(=CO2)C=O
• Uses: 6-Fluorochromone-3-carboxaldehyde may be used in the synthesis of the following fluorine-containing chromone-tetrazoles:3-((1-cyclohexyl-1H-tetrazol-5-yl)(phenylamino)methyl)-6-fluoro-4H-chromen-4-one3-((1-cyclohexyl-1H-tetrazol-5-yl)((3,4,5-trimethoxyphenyl)amino)methyl)-6-fluoro-4H-chrome-4-one3-((1-(tert-butyl)-1H-tetrazol-5-yl)(phenylamino)methyl)-6-fluoro-4H-chromen-4-one3-((1-(tert-butyl)-1H-tetrazol-5-yl)((4-chlorophenyl)amino)methyl)-6-fluoro-4H-chromen-4-one

Technology Process of 6-Fluoro-3-formylchromone

There total 7 articles about 6-Fluoro-3-formylchromone 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%

acetic acid acetoxy-(6-fluoro-4-oxo-4H-chromen-3-yl)-methyl ester → 6-fluorochromone-3-carboxaldehyde (69155-76-6)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at 70 ℃; for 2h;

Reference yield: 84.0%

oxalyl dichloride (79-37-8) + 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-fluorochromone-3-carboxaldehyde (69155-76-6)

Guidance literature:

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one; N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

oxalyl dichloride; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.2174/1573406412666160314151900

Reference yield: 81.0%

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-fluorochromone-3-carboxaldehyde (69155-76-6)

Guidance literature:

N,N-dimethyl-formamide; With bis(trichloromethyl) carbonate; In 1,2-dichloro-ethane; at 0 - 20 ℃;

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 4.5h; Further stages.;

DOI:10.1080/00304940709458601

upstream raw materials:

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

N,N-dimethyl-formamide

4-Fluorophenol

4-fluorophenyl acetate