Methyl 2-bromo-4-chloronicotinate

Name: Methyl 2-bromo-4-chloronicotinate
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CAS No. 1804384-19-7
Cat. No. CS-0109925
Purity≥97%
MDL No.None

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Methyl 2-bromo-4-chloronicotinate|CS-0109925

Structure of 1804384-19-7

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General Information

CAS No. 1804384-19-7
Cat. No. CS-0109925
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClNO₂
Molecular Weight 250.48
Synonym(s) None
SMILES O=C(C1=C(Cl)C=CN=C1Br)OC

Description

Methyl 2-bromo-4-chloronicotinate is a halogenated pyridine derivative featuring complementary reactive sites at the 2- and 4-positions. This bench-stable, moisture-tolerant reagent enables direct coupling in cross-coupling protocols and serves as a key intermediate for functionalized heterocycles in medicinal chemistry and agrochemical synthesis.

Application

Methyl 2-bromo-4-chloronicotinate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted nicotinates via Pd-catalyzed cross-coupling. The bromo and chloro groups provide orthogonal reactivity for sequential functionalization, while the methyl ester offers a handle for further derivatization. Bench-stable and compatible with standard reaction conditions, it facilitates the synthesis of complex heterocyclic scaffolds and API intermediates with predictable regiocontrol.

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
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

TPSA 39.19
LogP 2.2841
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-bromo-4-chloronicotinate

CAS No. 1804384-19-7

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