CAS 41969-71-5 Diethyl 3,4-pyrroledicarboxylate

Synonyms

Diethyl 3,4-pyrroledicarboxylate, 41969-71-5, diethyl 1H-pyrrole-3,4-dicarboxylate, AC1LELK0, AC1Q34CA, SureCN4045529, 393207_ALDRICH, CTK1D4989, AKOS015898337, 1H-pyrrole-3,4-dicarboxylic acid diethyl ester, I11-1144

IUPAC Name

diethyl 1H-pyrrole-3,4-dicarboxylate

Molecular Weight

211.21

Molecular Formula

C₁₀H₁₃NO₄

Canonical SMILES

CCOC(=O)C1=CNC=C1C(=O)OCC

InChI Key

QKXBVVVYILIRDO-UHFFFAOYSA-N

Boiling Point

373.5ºC at 760 mmHg

Melting Point

147-149ºC (dec.)(lit.)

Flash Point

179.7ºC

Purity

96%

Density

1.196g/cm³

Storage

room temperature

Exact Mass

211.08400

H-Bond Acceptor

H-Bond Donor

Application

Diethyl 3,4-pyrroledicarboxylate serves as a versatile compound primarily utilized in the synthesis of trisubstituted pyrroles, including diethyl 1-hydroxymethyl-3,4-pyrroledicarboxylate and diethyl 1-benzoyloxymethyl-3,4-pyrroledicarboxylate. Additionally, it plays a significant role in the development of pyrrole copolymer soft actuators, which benefit from reduced electrochemical creep and actuating strain. As a 3,4-pyrrole dicarboxylic diester, this compound is obtained through the hydrolysis of diethyl 1-benzoyl-3,4-pyrroledicarboxylate and its structure is verified using IR, NMR, and mass spectrometry techniques.

March 25, 2025

Excellent Intermediate for Organic Synthesis

I used Alfa Chemistry's Diethyl 3,4-pyrroledicarboxylate to synthesize trisubstituted pyrroles in our lab. The results were reliable, and the product was easy to handle, aiding our research significantly.