5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid

Name: 5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1083224-23-0
Cat. No. CS-0089776
Molecule weight225.15
Purity≥98%
MDL No.MFCD07377120

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5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid|CS-0089776

Structure of 1083224-23-0

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General Information

CAS No. 1083224-23-0
Cat. No. CS-0089776
Purity ≥98%
MDL No. MFCD07377120
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₅F₂NO₃
Molecular Weight 225.15
Synonym(s) None
SMILES O=C(C1=NOC(C2=CC=C(F)C=C2F)=C1)O

Description

5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid features a rigid isoxazole core flanked by a difluorophenyl group and a carboxylic acid handle, enabling direct integration into bioactive scaffolds. This electron-deficient heterocycle offers enhanced metabolic stability and favorable binding interactions in medicinal chemistry applications.

Application

5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. The isoxazole core exhibits favorable metabolic stability and functions as a key pharmacophore in kinase inhibitor and CNS-targeted compound development. Its carboxylic acid group facilitates direct conjugation or derivatization via amide, ester, or amidation reactions, while the 2,4-difluorophenyl substituent enhances membrane permeability and modulates electronic properties. Bench-stable and readily purified by recrystallization, it supports scalable synthesis in API research workflows.

Safety Information

Download SDS

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-P280-P302+P352

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Computational Chemistry Data

TPSA 63.33
LogP 2.318
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(2,4-Difluorophenyl)isoxazole-3-carboxylic acid

CAS No. 1083224-23-0

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