Lot numbers can be found on the outside label of a product:
Methyl 4,6-dichloronicotinate
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CAS No. 65973-52-6
- Cat. No. CS-W003200
- Purity≥97%
- MDL No.MFCD04125732
*For research and further manufacturing use only, not for direct human use.
Structure of 65973-52-6
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General Information
- CAS No. 65973-52-6
- Cat. No. CS-W003200
- Purity ≥97%
- MDL No. MFCD04125732
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅Cl₂NO₂
- Molecular Weight 206.03
- Synonym(s) None
- SMILES O=C(OC)C1=CN=C(Cl)C=C1Cl
Description
Methyl 4,6-dichloronicotinate is a bench-stable, electron-deficient heterocyclic ester featuring two chlorine substituents at the 4- and 6-positions of the nicotinate ring. This configuration enhances electrophilicity at the carbonyl carbon, enabling efficient coupling reactions in synthetic pathways. The compound serves as a key building block for functionalized pyridine derivatives used in medicinal chemistry and agrochemical development.
Application
Methyl 4,6-dichloronicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted nicotinates and heterocyclic scaffolds. Its dual chloro substituents at the 4- and 6-positions provide enhanced electrophilicity for nucleophilic aromatic substitution, facilitating late-stage functionalization. The methyl ester group offers compatibility with standard coupling and reduction protocols. This compound exhibits bench stability, ease of purification, and broad functional group tolerance, making it well-suited for medicinal chemistry campaigns and process development.
Synthesis
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Route1
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In-stock
79398-27-9 - ~95%
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In-stock
65973-52-6
References
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Luk, Kin-Chun Patent: US2012/184562 A1, 2012 ; Location in patent: Page/Page column 6; 17 ; US 20120184562 A1
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Route2
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93-60-7 - ~85%
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In-stock
65973-52-6
References
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PFIZER LIMITED; PFIZER INC. Patent: WO2005/28452 A1, 2005 ; Location in patent: Page/Page column 95 ; WO 2005/028452 A1
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Route3
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In-stock
1830-54-2 - ~%
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In-stock
65973-52-6
References
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US2012/184562 A1, ; US 20120184562 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 39.19
- LogP 2.175
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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