Lot numbers can be found on the outside label of a product:
Methyl 2,5-dichloronicotinate
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CAS No. 67754-03-4
- Cat. No. CS-W005635
- Purity≥98%
- MDL No.MFCD03844857
*For research and further manufacturing use only, not for direct human use.
Structure of 67754-03-4
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General Information
- CAS No. 67754-03-4
- Cat. No. CS-W005635
- Purity ≥98%
- MDL No. MFCD03844857
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅Cl₂NO₂
- Molecular Weight 206.03
- Synonym(s) Methyl 2,5-Dichloropyridine-3-carboxylate
- SMILES O=C(OC)C1=C(Cl)N=CC(Cl)=C1
Description
Methyl 2,5-dichloronicotinate serves as a key synthetic intermediate in the construction of bioactive heterocycles. The molecule features a pyridine core substituted with chlorine atoms at the 2- and 5-positions and a methyl ester group at the 3-position. This arrangement imparts enhanced electrophilicity and stability under standard bench conditions. The compound integrates readily into transition-metal-catalyzed coupling reactions and facilitates efficient access to functionalized nicotinates for pharmaceutical and agrochemical development.
Application
Methyl 2,5-dichloronicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted nicotinates and heterocyclic scaffolds. Its dual chloro substituents enhance electrophilicity at the ring, facilitating nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The ester functionality allows for selective manipulation under standard conditions, supporting broad functional group tolerance and ease of purification. This compound is bench-stable, readily handled, and widely employed in medicinal chemistry and agrochemical research for constructing bioactive core structures.
Synthesis
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Route1
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67-56-1 -
In-stock
59782-85-3 - ~94%
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In-stock
67754-03-4
References
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SCHERING CORPORATION; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2006/88837 A2, 2006 ; Location in patent: Page/Page column 119-120 ; WO 2006/088837 A2
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Route2
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67-56-1
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In-stock
38076-80-1 - ~58%
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In-stock
67754-03-4
References
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AVANIR PHARMACEUTICALS Patent: WO2005/21546 A1, 2005 ; Location in patent: Page/Page column 121; 187 ;
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Route3
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78686-87-0
- ~88%
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In-stock
67754-03-4
References
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Sankyo Company, Limited Patent: US5965591 A1, 1999 ;
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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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