Lot numbers can be found on the outside label of a product:
6-Bromo-2-methylquinazolin-4(3H)-one
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CAS No. 5426-59-5
- Cat. No. CS-W020738
- Purity≥98%
- MDL No.MFCD00548197
*For research and further manufacturing use only, not for direct human use.
Structure of 5426-59-5
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General Information
- CAS No. 5426-59-5
- Cat. No. CS-W020738
- Purity ≥98%
- MDL No. MFCD00548197
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇BrN₂O
- Molecular Weight 239.07
- Synonym(s) 6-Bromo-2-methyl-4(3H)-quinazolinone; 6-Bromo-2-methyl-1H-quinazolin-4-one; 6-Bromo-2-methyl-3,4-dihydroquinazolin-4-one; 6-broMo-2-Methylquinazolin-4-ol
- SMILES O=C1N=C(C)NC2=C1C=C(Br)C=C2
Description
6-Bromo-2-methylquinazolin-4(3H)-one is a heterocyclic scaffold featuring a bromine substituent at the 6-position and a methyl group at the 2-position, conferring enhanced electronic and steric properties. This core integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and bioactive small molecules, offering improved metabolic stability and favorable binding interactions in drug discovery pipelines.
Application
6-Bromo-2-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 C2 enhances metabolic stability, while the bromine substituent provides a reliable handle for further derivatization.
Synthesis
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Route1
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108-24-7 -
In-stock
5794-88-7 - ~60%
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In-stock
5426-59-5
References
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Gruenenthal GmbH Patent: US2009/69320 A1, 2009 ; Location in patent: Page/Page column 76 ;
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Route2
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189634-99-9 - ~95%
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In-stock
5426-59-5
References
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Bandgar Synthetic Communications, 1997 , vol. 27, # 12 p. 2065 - 2068
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Route3
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In-stock
21740-00-1 -
124-42-5
- ~85%
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In-stock
5426-59-5
References
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Zhang, Xiaodong; Ye, Deju; Sun, Haifeng; Guo, Diliang; Wang, Jiang; Huang, He; Zhang, Xu; Jiang, Hualiang; Liu, Hong Green Chemistry, 2009 , vol. 11, # 11 p. 1881 - 1888
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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 45.75
- LogP 1.99402
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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