ChemicalBook--->CAS DataBase List--->168759-60-2

168759-60-2

168759-60-2 Structure

168759-60-2 Structure
IdentificationBack Directory
[Name]

7-bromo-4H-chromen-4-one
[CAS]

168759-60-2
[Synonyms]

7-Bromochromone
7-Bromochromen-4-one
7-bromo-4H-chromen-4-one
4H-1-Benzopyran-4-one, 7-broMo-
1,2-Ethanediamine,N1-(5-methylpropyl)-
[Molecular Formula]

C9H5BrO2
[MDL Number]

MFCD12196350
[MOL File]

168759-60-2.mol
[Molecular Weight]

225.04
Chemical PropertiesBack Directory
[Melting point ]

154-159°C
[Boiling point ]

306.0±42.0 °C(Predicted)
[density ]

1.688±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

1S/C9H5BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
[InChIKey]

WWAOCYNUAWVKGQ-UHFFFAOYSA-N
[SMILES]

Brc1ccc2C(=O)C=COc2c1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

7-bromo-4H-chromen-4-one(168759-60-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

(E)-1-(4-BROMO-2-HYDROXYPHENYL)-3-(DIMETHYLAMINO)PROP-2-EN-1-ONE

945724-02-7

7-bromo-4H-chromen-4-one

168759-60-2

General procedure for the synthesis of 7-bromo-4H-chromen-4-one from (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one: Concentrated hydrochloric acid (30 mL) was slowly added to a (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one (10.4 g, 38.5 mmol) in a solution of dichloromethane (250 mL). The reaction mixture was heated to reflux for 30 minutes and then cooled to room temperature. The aqueous phase was extracted with dichloromethane (20 mL). The organic phases were combined, washed with saturated sodium bicarbonate solution (50 mL), dried over anhydrous sodium sulfate, and filtered. The solvent was removed by concentration under reduced pressure to give 7-bromo-4H-chromen-4-one (8.7 g, 38.5 mmol, 100% yield).

[References]

[1] Patent: WO2012/68234, 2012, A2. Location in patent: Page/Page column 629; 630
[2] Patent: WO2007/88450, 2007, A2. Location in patent: Page/Page column 22
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 22, p. 10228 - 10243
[4] Patent: US2009/202478, 2009, A1
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