4-Chloro-3-methylisoxazol-5-amine

Name: 4-Chloro-3-methylisoxazol-5-amine
Brand: ChemScene
Availability: InStock
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CAS No. 166964-09-6
Cat. No. CS-M0026
Purity≥98%
MDL No.MFCD08443950

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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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4-Chloro-3-methylisoxazol-5-amine|CS-M0026

Structure of 166964-09-6

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Description

4-Chloro-3-methylisoxazol-5-amine features a reactive isoxazole core with complementary electron-withdrawing and donor substituents, enabling direct incorporation into diverse heterocyclic scaffolds. This bench-stable, moisture-tolerant building block facilitates efficient synthesis of bioactive compounds through coupling and cyclization reactions under standard conditions.

Application

4-Chloro-3-methylisoxazol-5-amine serves as a versatile building block in medicinal chemistry, enabling efficient access to isoxazole-based pharmacophores. Its chloro and amino groups provide orthogonal handles for palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns targeting heterocyclic drug candidates.

General Information

CAS No. 166964-09-6
Cat. No. CS-M0026
Purity ≥98%
MDL No. MFCD08443950
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₅ClN₂O
Molecular Weight 132.55
Synonym(s) 5-Amino-4-chloro-3-methylisoxazole
SMILES ClC1=C(N)ON=C1C

Computational Chemistry Data

TPSA 52.05
LogP 1.21862
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

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
Precautionary Statements : P264-P270-P330-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

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4-Chloro-3-methylisoxazol-5-amine

CAS No. 166964-09-6

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