Lot numbers can be found on the outside label of a product:
Methyl 2-chloro-3-methylisonicotinate
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CAS No. 787596-41-2
- Cat. No. CS-0081041
- Purity≥98%
- MDL No.MFCD08275065
*For research and further manufacturing use only, not for direct human use.
Structure of 787596-41-2
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General Information
- CAS No. 787596-41-2
- Cat. No. CS-0081041
- Purity ≥98%
- MDL No. MFCD08275065
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈ClNO₂
- Molecular Weight 185.61
- Synonym(s) Methyl 2-Chloro-3-Methylpyridine-4-carboxylate
- SMILES ClC1=NC=CC(C(OC)=O)=C1C
Description
Methyl 2-chloro-3-methylisonicotinate is a bench-stable, moisture-tolerant heterocyclic ester featuring a chlorine atom at the 2-position and a methyl group at the 3-position of the pyridine ring. This electronic profile enables efficient coupling in cross-coupling reactions, while the ester functionality facilitates downstream transformations. The compound integrates readily into complex molecular architectures requiring precise regiochemical control.
Application
Methyl 2-chloro-3-methylisonicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds. Its ortho-chloro and methyl groups facilitate directed metalation and electrophilic substitution, while the ester functionality supports subsequent transformations such as hydrolysis, reduction, or coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses for pharmaceutical intermediates and agrochemicals.
Synthesis
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Route1
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In-stock
133928-73-1 -
74-88-4 - ~%
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In-stock
787596-41-2
References
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WO2012/142513 A1, ; Page/Page column 428 ; WO 2012/142513 A1
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Route2
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133928-64-0 - ~%
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In-stock
787596-41-2
References
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WO2012/142513 A1, ; WO 2012/142513 A1
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Route3
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67-56-1
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201230-82-2
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In-stock
153034-88-9 - ~%
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In-stock
787596-41-2
References
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EP1790650 A1, ; Page/Page column 58-59 ;
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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 1.83002
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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