Lot numbers can be found on the outside label of a product:
6-Bromo-3-methylquinazolin-4(3H)-one
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CAS No. 57573-59-8
- Cat. No. CS-0007681
- Purity≥98%
- MDL No.MFCD00195328
*For research and further manufacturing use only, not for direct human use.
Structure of 57573-59-8
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General Information
- CAS No. 57573-59-8
- Cat. No. CS-0007681
- Purity ≥98%
- MDL No. MFCD00195328
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇BrN₂O
- Molecular Weight 239.07
- Synonym(s) 6-bromo-3-methyl-4-oxo-3,4-dihydroquinazoline
- SMILES O=C1N(C)C=NC2=C1C=C(Br)C=C2
Description
6-Bromo-3-methylquinazolin-4(3H)-one features a brominated quinazolinone core with a methyl group at the 3-position, offering a reactive handle for cross-coupling and a stable scaffold for medicinal chemistry. This bench-stable compound integrates readily into target-directed libraries, enabling efficient access to bioactive heterocycles under standard conditions.
Application
6-Bromo-3-methylquinazolin-4(3H)-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling reactions. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient synthesis of quinazoline-based scaffolds relevant to kinase inhibitor development. The methyl group at C3 enhances metabolic stability, while the 4(3H)-one tautomer provides a robust platform for further derivatization.
Synthesis
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Route1
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123-39-7 -
In-stock
5794-88-7 - ~96%
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In-stock
57573-59-8
References
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ASTRAZENECA AB Patent: US2009/170849 A1, 2009 ; Location in patent: Page/Page column 11 ; US 20090170849 A1
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Route2
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In-stock
32084-59-6 -
74-88-4
- ~%
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In-stock
57573-59-8
References
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WO2010/71819 A1, ; Page/Page column 86 ;
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References
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WO2011/45258 A1, ; Page/Page column 50 ; WO 2011/045258 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.89
- LogP 1.696
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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