2,4-Dimethyl-1H-pyrrole-3-carboxylic acid

Name: 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid
Brand: ChemScene
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CAS No. 17106-13-7
Cat. No. CS-W007083
Purity≥95%
MDL No.MFCD09750426

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2,4-Dimethyl-1H-pyrrole-3-carboxylic acid|CS-W007083

Structure of 17106-13-7

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General Information

CAS No. 17106-13-7
Cat. No. CS-W007083
Purity ≥95%
MDL No. MFCD09750426
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO₂
Molecular Weight 139.15
Synonym(s) 2,4-Dimethylpyrrole-3-Carboxylicacid
SMILES O=C(C1=C(C)NC=C1C)O

Description

2,4-Dimethyl-1H-pyrrole-3-carboxylic acid features a sterically hindered pyrrole core with methyl groups at the 2- and 4-positions, enhancing stability and modulating electronic properties. The carboxylic acid functionality enables direct coupling in peptide synthesis and serves as a versatile scaffold for bioactive molecule development. This compound exhibits improved solubility in organic solvents and maintains bench-stability under standard handling conditions.

Application

2,4-Dimethyl-1H-pyrrole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group transformations. Its stability under routine reaction conditions and compatibility with diverse coupling protocols facilitate efficient access to substituted pyrrole scaffolds. The molecule functions effectively in peptide conjugation and transition-metal-catalyzed cross-coupling reactions, offering predictable reactivity for process chemists developing scalable synthetic routes.

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 53.09
LogP 1.32974
H_Acceptors 1
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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2,4-Dimethyl-1H-pyrrole-3-carboxylic acid

CAS No. 17106-13-7

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