Ethyl isoxazole-4-carboxylate

Name: Ethyl isoxazole-4-carboxylate
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CAS No. 80370-40-7
Cat. No. CS-0049560
Purity≥97%
MDL No.MFCD07368244

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FedEx Limited Quantities Ground	$0.00
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Ethyl isoxazole-4-carboxylate|CS-0049560

Structure of 80370-40-7

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Description

Ethyl isoxazole-4-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a strategically positioned isoxazole ring that enhances regioselectivity in cycloaddition reactions. This electron-deficient scaffold integrates readily into synthetic sequences requiring stable, polarizable building blocks for medicinal chemistry and materials science applications.

Application

Ethyl isoxazole-4-carboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its isoxazole core exhibits favorable stability and functional group tolerance, enabling direct use in Suzuki-Miyaura, Buchwald-Hartwig, and nitration reactions. The ester moiety facilitates downstream derivatization, including hydrolysis to the carboxylic acid or reduction to the alcohol. This compound functions reliably in multi-step sequences requiring bench-stable, orthogonally reactive intermediates for API and agrochemical scaffold construction.

General Information

CAS No. 80370-40-7
Cat. No. CS-0049560
Purity ≥97%
MDL No. MFCD07368244
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇NO₃
Molecular Weight 141.12
Synonym(s) ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
SMILES O=C(C1=CON=C1)OCC

Computational Chemistry Data

TPSA 52.33
LogP 0.8513
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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 Skeleton Aromatic heterocycle compounds Isoxazole compounds

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Ethyl isoxazole-4-carboxylate

CAS No. 80370-40-7

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