2-(3,5-Dimethylisoxazol-4-yl)acetic acid

Name: 2-(3,5-Dimethylisoxazol-4-yl)acetic acid
Brand: ChemScene
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CAS No. 2510-27-2
Cat. No. CS-0076820
Purity≥98%
MDL No.MFCD05864546

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Type	HazMat Fee
Excepted Quantity	$0.00
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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-(3,5-Dimethylisoxazol-4-yl)acetic acid|CS-0076820

Structure of 2510-27-2

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General Information

CAS No. 2510-27-2
Cat. No. CS-0076820
Purity ≥98%
MDL No. MFCD05864546
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO₃
Molecular Weight 155.15
Synonym(s) 4-Isoxazoleaceticacid,3,5-dimethyl-(7CI,9CI)
SMILES O=C(O)CC1=C(C)ON=C1C

Description

This acetic acid derivative features a 3,5-dimethylisoxazol-4-yl moiety that imparts enhanced stability and favorable solubility in organic solvents. The electron-rich heterocycle enables efficient coupling reactions, making it a robust scaffold for synthetic intermediates in medicinal chemistry.

Application

2-(3,5-Dimethylisoxazol-4-yl)acetic acid serves as a versatile building block for medicinal chemistry and heterocyclic synthesis, enabling efficient access to bioactive scaffolds. Its isoxazole core provides metabolic stability and favorable pharmacokinetic properties, while the pendant acetic acid group facilitates conjugation, derivatization, or incorporation into peptidomimetics via standard coupling reactions. The compound exhibits excellent bench stability and purity, supporting reliable use in high-throughput screening campaigns and process development workflows.

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+P364-P405-P501

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Computational Chemistry Data

TPSA 63.33
LogP 0.91854
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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2-(3,5-Dimethylisoxazol-4-yl)acetic acid

CAS No. 2510-27-2

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