ChemicalBook--->CAS DataBase List--->5426-59-5

5426-59-5

5426-59-5 Structure

5426-59-5 Structure
IdentificationBack Directory
[Name]

6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE
[CAS]

5426-59-5
[Synonyms]

6-broMo-2-Methylquinazolin-4-ol
6-bromo-2-methylquinazolin-4(1H)-one
6-bromo-2-methyl-4(3H)-Quinazolinone
6-bromo-2-methyl-1H-quinazolin-4-one
4(1H)-Quinazolinone, 6-bromo-2-methyl-
4(3H)-Quinazolinone, 6-bromo-2-methyl-
6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE
6-bromo-2-methylquinazolin-4(3H)-one(SALTDATA: FREE)
[Molecular Formula]

C9H7BrN2O
[MDL Number]

MFCD00548197
[MOL File]

5426-59-5.mol
[Molecular Weight]

239.07
Chemical PropertiesBack Directory
[Melting point ]

298 °C
[Boiling point ]

372.6±44.0 °C(Predicted)
[density ]

1.72±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

1.96±0.20(Predicted)
[Appearance]

Off-white to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Risk Statements ]

22
[Safety Statements ]

36/37
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

Light yellow solid
[Synthesis]

Acetic anhydride

108-24-7

2-Amino-5-bromobenzoic acid

5794-88-7

6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE

5426-59-5

The general procedure for the synthesis of 6-bromo-2-methylquinazolin-4(3H)-one from ethanoic anhydride and 2-amino-5-bromobenzoic acid was as follows: first, 2-amino-5-bromobenzoic acid was refluxed for 1 h in liquid ammonia (10 mL/g). Subsequently, the reaction solution was concentrated to a smaller volume and the residue was mixed with acetic anhydride (2 mL/g) and refluxing was continued for 4 hours. Upon completion of the reaction, water was added to the mixture and boiled for 30 minutes, followed by dropwise addition of 20% sodium hydroxide solution until a clarified solution was formed. Next, ammonium carbonate was added to the hot solution until a precipitate was formed. The mixture was allowed to stand at 4°C for 16 hours, after which the precipitate was collected by filtration, washed with water and finally dried under vacuum to give the target product in about 60% yield.

[References]

[1] Patent: US2009/69320, 2009, A1. Location in patent: Page/Page column 76
[2] Journal of the American Chemical Society, 1906, vol. 28, p. 101
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE(5426-59-5)1HNMR
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