ChemicalBook--->CAS DataBase List--->844648-22-2

844648-22-2

844648-22-2 Structure

844648-22-2 Structure
IdentificationBack Directory
[Name]

5,7-difluorochroman-4-one
[CAS]

844648-22-2
[Synonyms]

5,7-difluorochroman-4-one
5,7-Difluoro-2,3-dihydro-4H-chromen-4-one
5,7-Difluoro-3,4-dihydro-4H-chromen-4-one
5,7-DIFLUORO-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE
5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 5,7-difluoro-2,3-dihydro-
[Molecular Formula]

C9H6F2O2
[MDL Number]

MFCD11518474
[MOL File]

844648-22-2.mol
[Molecular Weight]

184.14
Chemical PropertiesBack Directory
[Boiling point ]

283℃
[density ]

1.392
[Fp ]

121℃
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C9H6F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
[InChIKey]

OJVRCPGUGZXUAP-UHFFFAOYSA-N
[SMILES]

C1OC2=CC(F)=CC(F)=C2C(=O)C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2932990090
Hazard InformationBack Directory
[Uses]

5,7-Difluorochroman-4-one is used as a reagent in the prepaation of tetrazolinone compounds,used as pest control agents.
[Synthesis]

3-(3,5-DIFLUOROPHENOXY)-PROPANOIC ACID

844648-19-7

5,7-difluorochroman-4-one

844648-22-2

At 50 °C, 3-(3,5-difluorophenoxy)propionic acid (20.0 g, 99 mmol) was added to 60 mL of concentrated sulfuric acid in batches and stirred until completely dissolved. The resulting yellow-green solution was stirred continuously at 50 °C for 1.5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and slowly poured into 800 mL of ice water. After standing for 1 hour, the colorless precipitate was collected by filtration and washed well with cold water. The resulting 5,7-difluorobenzodihydropyran-4-one was dried over phosphorus pentoxide to give 15.69 g of colorless solid in 86% yield.

[References]

[1] Patent: WO2008/151927, 2008, A2. Location in patent: Page/Page column 61
[2] Patent: KR2018/11830, 2018, A. Location in patent: Paragraph 0061; 0076; 0077
[3] Patent: US2005/38032, 2005, A1. Location in patent: Page/Page column 31
Spectrum DetailBack Directory
[Spectrum Detail]

5,7-difluorochroman-4-one(844648-22-2)1HNMR
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