| Identification | Back Directory | [Name]
6-BROMO-2-CHLOROQUINAZOLIN-4(1H)-ONE | [CAS]
167158-70-5 | [Synonyms]
6-Bromo-2-chloroquinazolin-4(3H)
6-BROMO-2-CHLOROQUINAZOLIN-4(1H)-ONE
6-bromo-2-chloroquinazolin-4(3H)-one
6-Bromo-2-chloro-4(3H)-quinazolinone
2-Chloro-6-broMoquinazolin-4(3H)-one
4(3H)-Quinazolinone, 6-bromo-2-chloro- | [Molecular Formula]
C8H4BrClN2O | [MDL Number]
MFCD11101032 | [MOL File]
167158-70-5.mol | [Molecular Weight]
259.49 |
| Chemical Properties | Back Directory | [Boiling point ]
393.2±44.0 °C(Predicted) | [density ]
1.95 | [storage temp. ]
2-8°C, stored under nitrogen, away from moisture | [pka]
-3.76±0.20(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
InChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13) | [InChIKey]
WZVAPPYRAGWFKW-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=C(Br)C=C2)C(=O)NC=1Cl |
| Hazard Information | Back Directory | [Synthesis]
Step C: Synthesis of 6-bromo-2-chloroquinazolin-4(3H)-one
6-Bromo-2,4-dichloroquinazoline (2.0 g, 7.20 mmol) was dissolved in THF (17.99 mL), 1N NaOH solution (17.99 mL, 17.99 mmol) was added, and the reaction was stirred for 2.5 h at room temperature. Upon completion of the reaction, the reaction solution was cooled to 0 °C and the pH was adjusted with AcOH to 5. The precipitated light yellow solid was collected by filtration and washed with water. The resulting solid was azeotropized by toluene (3×) to remove residual water to afford 6-bromo-2-chloroquinazolin-4(3H)-one (1.625 g, 87%). The product was analyzed by ES-LCMS: m/z 259.0, 261.0 [M+H]+. | [References]
[1] Patent: WO2012/87938, 2012, A1. Location in patent: Page/Page column 114
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 10, p. 2297 - 2300 |
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SynAsst Chemical.
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NovoChemy Ltd.
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www.novochemy.com |
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