Lot numbers can be found on the outside label of a product:
Methyl 2-chloro-6-methylnicotinate
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CAS No. 53277-47-7
- Cat. No. CS-W022805
- Purity≥97%
- MDL No.MFCD11845763
*For research and further manufacturing use only, not for direct human use.
Structure of 53277-47-7
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General Information
- CAS No. 53277-47-7
- Cat. No. CS-W022805
- Purity ≥97%
- MDL No. MFCD11845763
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈ClNO₂
- Molecular Weight 185.61
- Synonym(s) 2-Chloro-6-methyl-nicotinic acid methyl ester
- SMILES O=C(OC)C1=C(Cl)N=C(C)C=C1
Description
Methyl 2-chloro-6-methylnicotinate features a chlorinated pyridine core with strategic methylation at the 6-position, enhancing electronic and steric control. This electron-deficient heterocycle integrates readily into synthetic sequences requiring regioselective functionalization. The ester group enables direct derivatization or transformation under standard conditions.
Application
Methyl 2-chloro-6-methylnicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted nicotinates and pyridine derivatives. Its chlorine at C2 facilitates nucleophilic substitution, while the methyl group at C6 offers a handle for further functionalization. The ester functionality supports transformations such as reduction or hydrolysis, and the molecule exhibits good bench stability and ease of purification—ideal for medicinal chemistry and process development workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
30529-70-5 - ~99%
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In-stock
53277-47-7
References
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Le Hir de Fallois, Loic Patrick; Lee, Hyoung Ik; Wilkinson, Douglas Edward; Beck, Brent Christopher Patent: US2011/152312 A1, 2011 ; Location in patent: Page/Page column 35 ;
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Route2
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In-stock
30529-70-5
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74-88-4
- ~10%
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In-stock
53277-47-7
References
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Lee, Jinbo; Kirincich, Steve J.; Smith, Michael J.; Wilson, Douglas P.; Follows, Bruce C.; Wan, Zhao-Kui; Joseph-McCarthy, Diane M.; Erbe, David V.; Zhang, Yan-Ling; Xu, Weixin; Tam, Steve Y. Patent: US2005/203081 A1, 2005 ; Location in patent: Page/Page column 12; 30 ; US 20050203081 A1
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Route3
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In-stock
30529-70-5
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18107-18-1
- ~%
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In-stock
53277-47-7
References
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WO2010/122151 A1, ; Page/Page column 52 ; WO 2010/122151 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 1.83002
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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