Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate

Name: Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate
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CAS No. 95470-42-1
Cat. No. CS-W022656
Molecule weight233.06
Purity≥98%
MDL No.MFCD09033863

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Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate|CS-W022656

Structure of 95470-42-1

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General Information

CAS No. 95470-42-1
Cat. No. CS-W022656
Purity ≥98%
MDL No. MFCD09033863
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉BrN₂O₂
Molecular Weight 233.06
Synonym(s) 1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl-, ethyl ester
SMILES O=C(C1=C(C)N=C(Br)N1)OCC

Description

Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a brominated imidazole core and an ester-functionalized C5 position. This compound integrates readily into cross-coupling reactions and serves as a key intermediate in the synthesis of bioactive imidazole derivatives.

Application

Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate serves as a versatile building block for the synthesis of imidazole-based heterocycles, enabling palladium-catalyzed cross-coupling reactions and nucleophilic substitution processes. The bromo group facilitates C–C and C–N bond formation under mild conditions, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for medicinal chemistry campaigns and process development.

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 54.98
LogP 1.65732
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Key Words

95470-42-1 sigma95470-42-1 manufacturer95470-42-1 price95470-42-1 structure95470-42-1 SDSbuy 95470-42-195470-42-1 supplier95470-42-1 uses95470-42-1 molecular weightprice of 95470-42-195470-42-1 chemical name formula of 95470-42-1

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Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate

CAS No. 95470-42-1

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