Lot numbers can be found on the outside label of a product:
5-Bromo-1-methyl-2(1H)-pyrimidinone
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CAS No. 14248-01-2
- Cat. No. CS-W019692
- Purity≥97%
- MDL No.MFCD11044136
*For research and further manufacturing use only, not for direct human use.
Structure of 14248-01-2
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General Information
- CAS No. 14248-01-2
- Cat. No. CS-W019692
- Purity ≥97%
- MDL No. MFCD11044136
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₅BrN₂O
- Molecular Weight 189.01
- Synonym(s) NSC 528731; 5-bromo-1-methylpyrimidin-2(1H)-one
- SMILES O=C1N=CC(Br)=CN1C
Description
5-Bromo-1-methyl-2(1H)-pyrimidinone features a bromine substituent at the 5-position and a methyl group at the 1-position of the pyrimidinone core. This electron-deficient heterocycle serves as a key intermediate in medicinal chemistry, enabling efficient coupling reactions for nucleoside analogs and bioactive molecule synthesis under standard conditions.
Application
5-Bromo-1-methyl-2(1H)-pyrimidinone serves as a versatile building block in heterocyclic synthesis, enabling efficient C–C and C–N bond formation via palladium-catalyzed cross-coupling reactions. Its bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the pyrimidinone core offers compatibility with diverse functional groups. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry and API intermediate development.
Synthesis
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Route1
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81590-30-9 -
74-88-4 - ~45%
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In-stock
14248-01-2
References
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BANYU PHARMACEUTICAL CO., LTD. Patent: EP1820797 A1, 2007 ;
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Route2
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In-stock
38353-06-9 -
74-88-4
- ~%
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In-stock
14248-01-2
References
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BOEHRINGER INGELHEIM INTERNATIONAL GMBH; ECKHARDT, Matthias; FRATTINI, Sara; HAMPRECHT, Dieter; HIMMELSBACH, Frank; LANGKOPF, Elke; LINGARD, Iain; PETERS, Stefan; WAGNER, Holger Patent: WO2013/144097 A1, 2013 ; Location in patent: Page/Page column 164 ;
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Route3
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In-stock
63331-67-9 - ~15%
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In-stock
14248-01-2
References
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Nyegaard and Co. A/S Patent: US4395406 A1, 1983 ;
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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 0.5428
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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