Lot numbers can be found on the outside label of a product:
Dimethyl 4-bromopyridine-2,6-dicarboxylate
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CAS No. 162102-79-6
- Cat. No. CS-W005991
- Purity≥96%
- MDL No.MFCD09910266
*For research and further manufacturing use only, not for direct human use.
Structure of 162102-79-6
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General Information
- CAS No. 162102-79-6
- Cat. No. CS-W005991
- Purity ≥96%
- MDL No. MFCD09910266
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈BrNO₄
- Molecular Weight 274.07
- Synonym(s) Dimethyl 2-bromo-2,6-pyridinedicarboxylate
- SMILES O=C(C1=NC(C(OC)=O)=CC(Br)=C1)OC
Description
Dimethyl 4-bromopyridine-2,6-dicarboxylate features a pyridine core bearing bromine at the 4-position and two ester groups at the 2 and 6 positions. This electron-deficient heterocycle integrates readily into cross-coupling reactions, offering high functional group tolerance and stability under standard conditions. The para-substitution pattern enables predictable regiochemistry in synthetic transformations.
Application
Dimethyl 4-bromopyridine-2,6-dicarboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyridine-based scaffolds. Its bromine and ester functionalities support palladium-catalyzed cross-coupling reactions and selective deprotection sequences. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process development workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
499-51-4 - ~72%
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In-stock
162102-79-6
References
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Medical Research Council; University of Otago Patent: US2004/29851 A1, 2004 ; Location in patent: Page/Page column 7-8 ;
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Route2
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67-56-1
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In-stock
138-60-3 - ~83%
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In-stock
162102-79-6
References
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Broadley, Kenneth J.; Davies, Robin H.; Escargueil, Christine; Lee, Alan T.L.; Penson, Peter; Thomas, Eric J. Collection of Czechoslovak Chemical Communications, 2011 , vol. 76, # 7 p. 781 - 801
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Route3
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20443-03-2 - ~87%
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In-stock
162102-79-6
References
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Lundgren, Stina; Lutsenko, Serghey; Joensson, Christina; Moberg, Christina Organic Letters, 2003 , vol. 5, # 20 p. 3663 - 3665
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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 65.49
- LogP 1.4173
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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