Lot numbers can be found on the outside label of a product:
Methyl 2-chloro-6-methylpyridine-4-carboxylate
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CAS No. 3998-90-1
- Cat. No. CS-D0956
- Purity≥97%
- MDL No.MFCD04038391
*For research and further manufacturing use only, not for direct human use.
Structure of 3998-90-1
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General Information
- CAS No. 3998-90-1
- Cat. No. CS-D0956
- Purity ≥97%
- MDL No. MFCD04038391
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈ClNO₂
- Molecular Weight 185.61
- Synonym(s) Methyl 2-chloro-6-methylisonicotinate
- SMILES O=C(C1=CC(Cl)=NC(C)=C1)OC
Description
Methyl 2-chloro-6-methylpyridine-4-carboxylate features a pyridine core with orthogonal electron-withdrawing and electron-donating substituents, enabling selective functionalization. The ester group provides synthetic handle for downstream derivatization, while the chloro and methyl moieties offer tunable reactivity in cross-coupling and cyclization processes. Bench-stable and compatible with standard reaction conditions.
Application
Methyl 2-chloro-6-methylpyridine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its reactive chloropyridine moiety. The methyl and ester groups provide orthogonal functional handles for further derivatization, while the compound exhibits excellent bench stability and ease of purification. Its defined regiochemistry supports predictable transformations in medicinal chemistry and agrochemical scaffold development.
Synthesis
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Route1
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In-stock
25462-85-5 -
79-37-8 - ~98%
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In-stock
3998-90-1
References
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Zeneca Limited; Zeneca Pharma S.A., Patent: US5962458 A1, 1999 ; US 5962458 A
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Route2
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67-56-1
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In-stock
86454-13-9 - ~%
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In-stock
3998-90-1
References
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DU PREEZ, Jan Gysbert Hermanus; WENTZEL, Mauritz; KNOETZE, Steyn Patent: WO2012/153253 A2, 2012 ; Location in patent: Page/Page column 67 ;
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Route3
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67-56-1
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In-stock
25462-85-5
- ~90%
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In-stock
3998-90-1
References
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Havas, Fabien; Danel, Mathieu; Galaup, Chantal; Tisnes, Pierre; Picard, Claude Tetrahedron Letters, 2007 , vol. 48, # 6 p. 999 - 1002
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H315-H317-H318-H335
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Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-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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