Ethyl 6-methyl-5-nitropyridine-3-carboxylate

Name: Ethyl 6-methyl-5-nitropyridine-3-carboxylate
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CAS No. 1211538-09-8
Cat. No. CS-0049412
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 6-methyl-5-nitropyridine-3-carboxylate|CS-0049412

Structure of 1211538-09-8

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General Information

CAS No. 1211538-09-8
Cat. No. CS-0049412
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₂O₄
Molecular Weight 210.19
Synonym(s) Ethyl 6-methyl-5-nitronicotinate
SMILES CCOC(=O)C1=CC(=C(C)N=C1)[N+]([O-])=O

Description

Ethyl 6-methyl-5-nitropyridine-3-carboxylate features a pyridine core bearing a nitro group at C5 and a methyl substituent at C6, enabling strategic functionalization in heterocyclic synthesis. The ester handle facilitates coupling reactions, while the electron-deficient ring supports nucleophilic substitution under mild conditions. This compound serves as a key intermediate in medicinal chemistry and agrochemical development.

Application

Ethyl 6-methyl-5-nitropyridine-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds via sequential reduction and functionalization. The nitro group facilitates controlled reduction to an amine, while the ester supports amidation, hydrolysis, or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 82.33
LogP 1.47492
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Ethyl 6-methyl-5-nitropyridine-3-carboxylate

CAS No. 1211538-09-8

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