6-Iodoquinazolin-4-one Chemical Properties

Melting point:

271°C(lit.)

Boiling point:

401.0±47.0 °C(Predicted)

Density 

2.11±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)

form 

Solid

pka

1.00±0.20(Predicted)

color 

White to Off-White

InChI

InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)

InChIKey

PUGXMZKDRVGIHC-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(I)C=C2)C(=O)NC=1

CAS DataBase Reference

16064-08-7(CAS DataBase Reference)

Safety Information

Risk Statements 

36

Safety Statements 

26

HS Code 

2914390090

6-Iodoquinazolin-4-one Usage And Synthesis

Chemical Properties

White Solid

Uses

6-Iodoquinazolin-4-one is an intermediate in the synthesis of Lapatinib (L175800).

Synthesis

Using 2-amino-5-iodobenzoic acid and trimethyl orthoformate as starting materials, the synthesis procedure of Examples I-2 was followed, but the reaction solvent was replaced from methanol to acetonitrile. Upon completion of the reaction, 6-iodoquinazolin-4-one was obtained by post-processing in a yield of 0.98 g and 94% yield.

References

[1] Patent: EP1477481, 2004, A1. Location in patent: Page 17
[2] Patent: EP1477481, 2004, A1. Location in patent: Page 16-17
[3] Patent: EP1477481, 2004, A1. Location in patent: Page 17
[4] Patent: EP1477481, 2004, A1. Location in patent: Page 17
[5] Patent: EP1477481, 2004, A1. Location in patent: Page 17

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