3,5-Dimethylisoxazole-4-carboxaldehyde

Name: 3,5-Dimethylisoxazole-4-carboxaldehyde
Brand: ChemScene
Availability: InStock
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CAS No. 54593-26-9
Cat. No. CS-W002952
Purity≥97%
MDL No.MFCD02681977

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3,5-Dimethylisoxazole-4-carboxaldehyde|CS-W002952

Structure of 54593-26-9

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Description

3,5-Dimethylisoxazole-4-carboxaldehyde features a sterically hindered isoxazole ring bearing methyl groups at the 3 and 5 positions, enhancing stability and modulating electronic properties. The aldehyde functionality at the 4-position enables direct coupling in synthesis, facilitating access to bioactive heterocycles. This bench-stable reagent integrates readily into diverse reaction sequences requiring controlled electrophilicity.

Application

3,5-Dimethylisoxazole-4-carboxaldehyde serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted isoxazole scaffolds via coupling and functionalization reactions. Its aldehyde functionality facilitates reductive amination, Wittig olefination, and conjugate addition processes, while the dimethyl substitution enhances stability and solubility. The compound exhibits robust bench stability and compatibility with standard purification techniques, making it well-suited for medicinal chemistry campaigns and process development workflows.

General Information

CAS No. 54593-26-9
Cat. No. CS-W002952
Purity ≥97%
MDL No. MFCD02681977
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇NO₂
Molecular Weight None
Synonym(s) 4-isoxazolecarboxaldehyde, 3,5-dimethyl-
SMILES CC1=NOC(C)=C1C=O

Computational Chemistry Data

TPSA 43.1
LogP 1.10394
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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-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

Key Words

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3,5-Dimethylisoxazole-4-carboxaldehyde

CAS No. 54593-26-9

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