| Identification | Back Directory | [Name]
4-CHLORO-7-FLUORO-QUINAZOLINE | [CAS]
16499-62-0 | [Synonyms]
4-CHLORO-7-FLUORO-QUINAZOLINE
Quinazoline, 4-chloro-7-fluoro- | [Molecular Formula]
C8H4ClFN2 | [MDL Number]
MFCD08236729 | [MOL File]
16499-62-0.mol | [Molecular Weight]
182.58 |
| Chemical Properties | Back Directory | [Boiling point ]
284.9±20.0 °C(Predicted) | [density ]
1.447 | [refractive index ]
1.635 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
0.35±0.30(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C8H4ClFN2/c9-8-6-2-1-5(10)3-7(6)11-4-12-8/h1-4H | [InChIKey]
JHBYQJRHJVEKPK-UHFFFAOYSA-N | [SMILES]
N1=C2C(C=CC(F)=C2)=C(Cl)N=C1 |
| Hazard Information | Back Directory | [Description]
4-chloro-7-fluoro-quinazoline is a white crystalline solid. It can be dissolved in organic solvents such as ethanol and dimethylformamide. | [Synthesis]
General procedure for the synthesis of 4-chloro-7-fluoroquinazoline from 7-fluoro-4-quinazolinone: 7-fluoro-3H-quinazolin-4-one (8.2 g, 50 mmol) was mixed with thionyl chloride (80 mL) and the reaction was heated to reflux. After completion of the reaction, the excess thionyl chloride was removed by concentration under reduced pressure to give the target product 4-chloro-7-fluoroquinazoline (9.1 g, quantitative yield). | [References]
[1] Patent: US2008/70935, 2008, A1. Location in patent: Page/Page column 54
[2] Synthetic Communications, 2011, vol. 41, # 24, p. 3644 - 3653
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 267 - 276
[4] Organic Letters, 2010, vol. 12, # 3, p. 552 - 555
[5] MedChemComm, 2014, vol. 5, # 9, p. 1290 - 1296 |
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