7-CHLORO-4-QUINAZOLINOL Chemical Properties

Melting point:

251-253 °C

Boiling point:

331.7±44.0 °C(Predicted)

Density 

1.50±0.1 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

0.36±0.20(Predicted)

Appearance

Off-white to light brown Solid

InChI

InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)

InChIKey

PMLONMIODRHERC-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC(Cl)=C2)C(=O)NC=1

Safety Information

HS Code 

2933998090

7-CHLORO-4-QUINAZOLINOL Usage And Synthesis

Synthesis Reference(s)

Journal of the American Chemical Society, 68, p. 1305, 1946 DOI: 10.1021/ja01211a058

Synthesis

The general procedure for the synthesis of 7-chloro-4(3H)-quinazolinone from formamidine acetate and 2-amino-4-chlorobenzoic acid was as follows: 10 g of 2-amino-4-chlorobenzoic acid (BB1) and 8 g of formamidine acetate (1.3 eq.) were added to a 100 ml eggplant flask and mixed thoroughly. The mixture was placed in a microwave reactor and reacted at 60% power for 4 min. After completion of the reaction, it was cooled to room temperature, 30 ml of water was added, stirred and the solid product was collected by filtration. The resulting product was 7-chloro-4(3H)-quinazolinone (BB2) in a yield of 10 g with 95% yield.

References

[1] Patent: CN103570738, 2016, B. Location in patent: Paragraph 0303; 0304; 0306
[2] Patent: CN103382182, 2016, B. Location in patent: Paragraph 0272-0275
[3] Patent: WO2012/88712, 2012, A1. Location in patent: Page/Page column 16
[4] MedChemComm, 2015, vol. 6, # 1, p. 222 - 229

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