ChemicalBook--->CAS DataBase List--->16499-62-0

16499-62-0

16499-62-0 Structure

16499-62-0 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack 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]

7-Fluoro-4-quinazolone

16499-57-3

 4-chloro-7-fluoro-quinazoline

16499-62-0

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-chloro-7-fluoro-quinazoline(16499-62-0)1HNMR
4-chloro-7-fluoro-quinazoline(16499-62-0)19FNMR
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