4-chloro-7-fluoro-quinazoline Chemical Properties

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 Information

HazardClass 

IRRITANT

HS Code 

2933998090

4-chloro-7-fluoro-quinazoline Usage And Synthesis

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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