2-(4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid

Name: 2-(4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid
Brand: ChemScene
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CAS No. 91574-45-7
Cat. No. CS-0137855
Purity≥98%
MDL No.MFCD06220691

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2-(4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid|CS-0137855

Structure of 91574-45-7

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General Information

CAS No. 91574-45-7
Cat. No. CS-0137855
Purity ≥98%
MDL No. MFCD06220691
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₉NO₄
Molecular Weight 231.20
Synonym(s) 2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetic acid
SMILES O=C(O)CC1=CC=C(N2C(C=CC2=O)=O)C=C1

Description

This pyrrolone-functionalized acetic acid derivative integrates a conjugated aryl moiety with a reactive carboxylic acid group, enabling straightforward coupling in peptide and polymer synthesis. The electron-deficient pyrrolone ring enhances stability and facilitates selective functionalization under mild conditions.

Application

2-(4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid serves as a versatile building block for conjugated aryl-acid scaffolds, enabling efficient access to bioactive heterocycles and pharmaceutical intermediates. Its robust pyrrolone moiety offers enhanced stability and predictable reactivity in coupling and functionalization reactions. The pendant acetic acid group facilitates straightforward derivatization via amide or ester formation, supporting applications 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 74.68
LogP 0.7431
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrroline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid

CAS No. 91574-45-7

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