Isoxazol-4-amine

Name: Isoxazol-4-amine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 108511-97-3
Cat. No. CS-0018833
Purity≥95%
MDL No.MFCD08234629

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 108511-97-3

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General Information

CAS No. 108511-97-3
Cat. No. CS-0018833
Purity ≥95%
MDL No. MFCD08234629
Storage -20°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₄N₂O
Molecular Weight 84.08
Synonym(s) 1,2-Oxazol-4-amine; 4-Aminoisoxazole
SMILES NC1=CON=C1

Description

Isoxazol-4-amine serves as a key heterocyclic scaffold in medicinal chemistry, offering a stable, electron-rich platform for bioactive compound synthesis. The amine functionality enables direct derivatization, while the isoxazole ring imparts metabolic resilience and favorable pharmacokinetic properties. This compound integrates readily into diverse molecular architectures under standard conditions.

Application

Isoxazol-4-amine serves as a versatile building block in medicinal chemistry, enabling efficient access to isoxazole-based scaffolds through straightforward functionalization. Its amine group facilitates conjugation reactions, while the heterocyclic core exhibits robust bench stability and compatibility with common protecting group strategies. The compound functions effectively in standard coupling protocols and supports diverse downstream transformations, making it well-suited for rapid library synthesis and target-oriented discovery workflows.

Synthesis

Route1
- In-stock
  
  1121-13-7
- ~%
- In-stock
  
  108511-97-3
References
- Journal of Organic Chemistry, , vol. 52, # 13 p. 2714 - 2726
Route2
- 122686-14-0
- ~54%
- In-stock
  
  108511-97-3
References
- Pascual, Alfons Helvetica Chimica Acta, 1989 , vol. 72, p. 556 - 569

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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Computational Chemistry Data

TPSA 52.05
LogP 0.2568
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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Isoxazol-4-amine

CAS No. 108511-97-3

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