Methyl 5-bromo-1H-indole-4-carboxylate

Name: Methyl 5-bromo-1H-indole-4-carboxylate
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CAS No. 731810-04-1
Cat. No. CS-0477692
Purity≥97%
MDL No.MFCD27965096

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Methyl 5-bromo-1H-indole-4-carboxylate|CS-0477692

Structure of 731810-04-1

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General Information

CAS No. 731810-04-1
Cat. No. CS-0477692
Purity ≥97%
MDL No. MFCD27965096
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈BrNO₂
Molecular Weight 254.08
Synonym(s) None
SMILES COC(=O)C1=C2C(NC=C2)=CC=C1Br

Description

Methyl 5-bromo-1H-indole-4-carboxylate features a brominated indole core with a methyl ester at the C4 position, enabling direct incorporation into cross-coupling and functionalization workflows. The electron-deficient aryl halide serves as a key building block for pharmaceutical intermediates and bioactive heterocycles under palladium-catalyzed conditions.

Application

Methyl 5-bromo-1H-indole-4-carboxylate serves as a versatile building block for the synthesis of indole-based pharmaceuticals and functional materials. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports selective transformations under mild conditions. Its bench-stable nature and compatibility with diverse reaction environments make it well-suited for iterative synthetic sequences in medicinal chemistry 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-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 42.09
LogP 2.717
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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Methyl 5-bromo-1H-indole-4-carboxylate

CAS No. 731810-04-1

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