5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid

Name: 5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid
Brand: ChemScene
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CAS No. 1515982-14-5
Cat. No. CS-0614538
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid|CS-0614538

Structure of 1515982-14-5

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General Information

CAS No. 1515982-14-5
Cat. No. CS-0614538
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆BrNO₂
Molecular Weight 204.02
Synonym(s) None
SMILES O=C(C1=CN(C)C(Br)=C1)O

Description

5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid features a brominated pyrrole core with a methyl group at the nitrogen and a carboxylic acid at the 3-position, enabling direct incorporation into bioactive scaffolds. The electron-deficient pyrrole ring facilitates transition metal-catalyzed coupling reactions, while the carboxylic acid serves as a versatile handle for amide bond formation or derivatization. This compound offers enhanced stability and solubility in polar organic solvents, supporting efficient integration into medicinal chemistry campaigns.

Application

5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions at the bromo position. The carboxylic acid functionality facilitates derivatization via amide formation or esterification, while the methyl group enhances solubility and modulates electronic properties. Bench-stable and compatible with standard purification methods, it functions effectively in medicinal chemistry campaigns targeting pyrrole-based scaffolds.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 42.23
LogP 1.4858
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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5-Bromo-1-methyl-1H-pyrrole-3-carboxylic acid

CAS No. 1515982-14-5

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