6-Fluorochroman-4-one

Base Information

• Chemical Name: 6-Fluorochroman-4-one
• CAS No.: 66892-34-0
• Molecular Formula: C9H7FO2
• Molecular Weight: 166.152
• Hs Code.: 29329990
• European Community (EC) Number: 266-511-8
• DSSTox Substance ID: DTXSID00217035
• Nikkaji Number: J120.455F
• Wikidata: Q72479521
• Mol file: 66892-34-0.mol

Synonyms:6-fluorochroman-4-one;66892-34-0;6-Fluoro-4-chromanone;6-fluoro-2,3-dihydrochromen-4-one;6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one;6-fluoro-2,3-dihydro-4h-chromen-4-one;6-fluorochromanone;4H-1-Benzopyran-4-one, 6-fluoro-2,3-dihydro-;EINECS 266-511-8;MFCD00038654;6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one;6-Fluoro-chroman-4-one;Maybridge1_007252;SCHEMBL769330;6-Fluoro-4-chromanone, 99%;SCHEMBL11172482;HMS562B14;DTXSID00217035;BCP27068;STL183247;AKOS005146421;AB01746;AC-6190;CS-W010813;FS-1028;2,3-dihydro-6-fluoro-4H-benzopyran-4-one;AM20040987;F0831;FT-0621119;2,3,-dihydro-6-fluoro-4H-benzopyran-4-one;EN300-57114;A838170;Z382720990;6-Fluorochroman-4-one;InChI=1/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H

Chemical Property of 6-Fluorochroman-4-one

Chemical Property:

• Appearance/Colour: Pink-rose crystals
• Melting Point: 114-116 °C(lit.)
• Boiling Point: 281.889 °C at 760 mmHg
• Flash Point: 120.457 °C
• PSA: 26.30000
• Density: 1.298 g/cm³
• LogP: 1.79090
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.04300762
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

6-Fluoro-4-chromanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(C1=O)C=C(C=C2)F
• Uses: 6-Fluoro-4-chromanone was utilized in hydantoin synthesis of irreversible aldose reductase inhibitors. 6-Fluoro-4-chromanone may be used as internal standard:to investigate the carbonyls emission from gasoline-powered light-duty vehicles (LDVs) and heavy-duty diesel-powered vehicles by chromatography-mass spectrometry analysesin a direct analysis of carbonyls in diesel emissions by new HPLC technique with atmospheric pressure chemical ionization (APCI) MS

Technology Process of 6-Fluorochroman-4-one

There total 20 articles about 6-Fluorochroman-4-one 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: 88.0%

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

Guidance literature:

With triethylsilane; 1,1,1,3',3',3'-hexafluoro-propanol; tris(pentafluorophenyl)borate; at 40 ℃; for 1h; chemoselective reaction;

DOI:10.1021/acs.joc.0c00568

Reference yield: 87.0%

2,3-dihydro-6-fluoro-4H-ureido-1-benzopyran-4-carboxylic acid (90477-47-7) → 6-fluoro-4-chromanone (66892-34-0)

Guidance literature:

With hydrogenchloride; potassium permanganate; In water; acetic acid;

Reference yield: 83.0%

3-(4-fluoro-phenoxy)propionic acid (1579-78-8) → 6-fluoro-4-chromanone (66892-34-0)

Guidance literature:

With PPA; for 0.333333h; Heating;

DOI:10.1021/jm00149a030

upstream raw materials:

(+/-)-sorbinil

3-(4-fluoro-phenoxy)propionic acid

4-Fluorophenol

3-(4-fluoro-phenoxy)propionitrile

Downstream raw materials:

(S)-2,3-dihydro-6-fluoro-4-<(1-phenylethyl)imino>-4H-1-benzopyran

(R)-2,3-dihydro-6-fluoro-4-<(1-phenylethyl)imino>-4H-1-benzopyran

(+/-)-sorbinil

6-fluorochroman