ChemicalBook--->CAS DataBase List--->331646-99-2

331646-99-2

331646-99-2 Structure

331646-99-2 Structure
IdentificationBack Directory
[Name]

8-bromoquinazoline-2,4(1H,3H)-dione
[CAS]

331646-99-2
[Synonyms]

8-Bromo-1H-quinazoline-2,4-dione
8-BROMO-2,4-DIHYDROXY QUINOZALINE
8-bromoquinazoline-2,4(1H,3H)-dione
8-Bromo-2,4(1H,3H)-quinazolinedione
2,4(1H,3H)-Quinazolinedione, 8-bromo-
8-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione
[Molecular Formula]

C8H5BrN2O2
[MDL Number]

MFCD11499006
[MOL File]

331646-99-2.mol
[Molecular Weight]

241.04
Chemical PropertiesBack Directory
[density ]

1.752±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

10.29±0.20(Predicted)
[Appearance]

Off-white to light yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

8-bromoquinazoline-2,4(1H,3H)-dione(331646-99-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-AMINO-3-BROMOBENZOIC ACID

20776-51-6

Urea

57-13-6

8-bromoquinazoline-2,4(1H,3H)-dione

331646-99-2

The general procedure for the synthesis of 8-bromoquinazoline-2,4(1H)-dione from 2-amino-3-bromobenzoic acid (10.8 g, 50 mmol, 1 eq.) and urea (15 g, 250 mmol, 5 eq.) was carried out as follows: a mixture of the above two raw materials was stirred and reacted for 3 hr at 200 °C. After completion of the reaction, the mixture was cooled to room temperature and slowly poured into ice water. The resulting solid product was collected by filtration and subsequently washed three times with deionized water to remove impurities. Finally, the product was dried under vacuum to afford 8-bromoquinazoline-2,4(1H)-dione as a yellow solid (12.1 g, about 100% yield).

[References]

[1] Patent: WO2015/27222, 2015, A2. Location in patent: Paragraph 0213
[2] Patent: WO2016/133935, 2016, A1. Location in patent: Paragraph 0286
[3] ACS Medicinal Chemistry Letters, 2018, vol. 9, # 9, p. 941 - 946
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