| Identification | More | [Name]
6-Iodoquinazolin-4-one | [CAS]
16064-08-7 | [Synonyms]
6-IODO-1H-QUINAZOLIN-4-ONE
6-IODO-3H-QUINAZOLIN-4-ONE
6-IODO-4-QUINAZOLONE
6-IODOQUINAZOLIN-4-ONE
TIMTEC-BB SBB005376
6-IODOQUINAZOLIN-4(1H)-ONE
6-IODO-4(3H)-QUINAZOLINONE
6-iodoquinazolin-4-ol
2-METHYL-6-(CHLOROMETHYL)PYRIDINE HCL
6-Iodoquinazolinone | [EINECS(EC#)]
605-218-5 | [Molecular Formula]
C8H5IN2O | [MDL Number]
MFCD05662719 | [Molecular Weight]
272.04 | [MOL File]
16064-08-7.mol |
| Chemical Properties | Back Directory | [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) |
| Hazard Information | Back Directory | [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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