5,7-difluorochroman-4-one Chemical Properties

Boiling point:

283℃

Density 

1.392

Flash point:

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 Information

HS Code 

2932990090

5,7-difluorochroman-4-one Usage And Synthesis

Uses

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

Synthesis

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

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