Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Name: Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Brand: ChemScene
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CAS No. 2199-59-9
Cat. No. CS-W002153
Purity≥98%
MDL No.MFCD00030352

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate|CS-W002153

Structure of 2199-59-9

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Description

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate features a pyrrole core with strategically positioned formyl and ester groups, enabling direct functionalization in heterocyclic synthesis. The electron-deficient pyrrole ring facilitates conjugative coupling reactions, while the methyl substituents enhance regioselectivity. This bench-stable reagent integrates efficiently into complex molecular architectures under standard conditions.

Application

Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrrole scaffolds. The formyl and ester groups support sequential functionalization via nucleophilic addition, condensation, and cross-coupling reactions. Bench-stable and readily purified by column chromatography, it functions effectively in multistep sequences requiring orthogonal reactivity and moderate electrophilicity.

General Information

CAS No. 2199-59-9
Cat. No. CS-W002153
Purity ≥98%
MDL No. MFCD00030352
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₃
Molecular Weight 195.22
Synonym(s) 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid Ethyl Ester
SMILES O=C(C1=C(C)NC(C=O)=C1C)OCC

Computational Chemistry Data

TPSA 59.16
LogP 1.62074
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

CAS No. 2199-59-9

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