Methyl 5-bromo-4-methylnicotinate

Name: Methyl 5-bromo-4-methylnicotinate
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CAS No. 1382847-91-7
Cat. No. CS-0046926
Molecule weight230.06
Purity≥98%
MDL No.None

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Methyl 5-bromo-4-methylnicotinate|CS-0046926

Structure of 1382847-91-7

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General Information

CAS No. 1382847-91-7
Cat. No. CS-0046926
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrNO₂
Molecular Weight 230.06
Synonym(s) Methyl 5-bromo-4-methylpyridine-3-carboxylate
SMILES O=C(C1=CN=CC(Br)=C1C)OC

Description

Methyl 5-bromo-4-methylnicotinate is a bench-stable, electron-deficient heterocyclic ester featuring a bromine atom at the C5 position and a methyl group at C4. This configuration enables direct functionalization in palladium-catalyzed cross-coupling reactions, streamlining access to substituted nicotinates for medicinal chemistry and materials synthesis.

Application

Methyl 5-bromo-4-methylnicotinate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine functionality. The methyl ester and methyl substituent provide orthogonal handles for selective transformations, while the pyridine core offers stability and compatibility with standard reaction conditions. Its bench-stable nature and predictable reactivity make it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 39.19
LogP 1.93912
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 5-bromo-4-methylnicotinate

CAS No. 1382847-91-7

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