Lot numbers can be found on the outside label of a product:
Methyl 2-amino-4,6-dichloronicotinate
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CAS No. 1044872-40-3
- Cat. No. CS-W022799
- Purity≥97%
- MDL No.MFCD16660199
*For research and further manufacturing use only, not for direct human use.
Structure of 1044872-40-3
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General Information
- CAS No. 1044872-40-3
- Cat. No. CS-W022799
- Purity ≥97%
- MDL No. MFCD16660199
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆Cl₂N₂O₂
- Molecular Weight 221.04
- Synonym(s) 2-Amino-4,6-dichloro-nicotinic acid methyl ester
- SMILES O=C(C1=C(Cl)C=C(Cl)N=C1N)OC
Description
Methyl 2-amino-4,6-dichloronicotinate features a strategically positioned amino group flanked by two chlorine atoms on the pyridine ring, enhancing its reactivity in cross-coupling and cyclization reactions. This bench-stable derivative integrates readily into complex heterocyclic architectures, offering high functional group tolerance and predictable regiochemistry under standard conditions.
Application
Methyl 2-amino-4,6-dichloronicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds. Its amino and ester functionalities offer orthogonal reactivity for downstream transformations, including nucleophilic substitutions, coupling reactions, and heterocycle elaboration. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multi-step synthesis and API development workflows.
Synthesis
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Route1
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523992-26-9 - ~59%
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In-stock
1044872-40-3
References
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JAPAN TOBACCO INC. Patent: US2011/77267 A1, 2011 ; Location in patent: Page/Page column 48 ; US 20110077267 A1
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References
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RVX Therapeutics Inc.; McLure, Kevin G.; Young, Peter Ronald Patent: US2013/281397 A1, 2013 ; Location in patent: Paragraph 0588; 0589 ;
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Route3
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In-stock
1830-54-2 - ~%
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In-stock
1044872-40-3
References
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US2011/77267 A1, ; US 20110077267 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 65.21
- LogP 1.7572
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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