(3,5-Dimethylisoxazol-4-yl)methanamine

Name: (3,5-Dimethylisoxazol-4-yl)methanamine
Brand: ChemScene
Availability: InStock
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CAS No. 131052-47-6
Cat. No. CS-W006542
Purity≥95%
MDL No.MFCD06213033

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Excepted Quantity	$0.00
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(3,5-Dimethylisoxazol-4-yl)methanamine|CS-W006542

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General Information

CAS No. 131052-47-6
Cat. No. CS-W006542
Purity ≥95%
MDL No. MFCD06213033
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₁₀N₂O
Molecular Weight 126.16
Synonym(s) 3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE
SMILES CC1=NOC(C)=C1CN

Description

(3,5-Dimethylisoxazol-4-yl)methanamine features a sterically shielded isoxazole core paired with a primary amine handle, enabling direct incorporation into bioactive scaffolds. This bench-stable, moisture-tolerant building block integrates readily into medicinal chemistry campaigns targeting CNS-penetrant molecules and kinase inhibitors.

Application

(3,5-Dimethylisoxazol-4-yl)methanamine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group transformations. Its isoxazole core provides enhanced metabolic stability and favorable physicochemical properties, while the primary amine facilitates conjugation reactions, including amidation and reductive amination. The molecule exhibits excellent bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthesis campaigns in drug discovery workflows.

Synthesis

Route1
- In-stock
  
  19788-37-5
- ~%
- In-stock
  
  131052-47-6
References
- US5089499 A1, ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3267
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P264-P271-P280-P301+P330+P331-P304+P340-P363-P501

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Computational Chemistry Data

TPSA 52.05
LogP 0.75014
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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(3,5-Dimethylisoxazol-4-yl)methanamine

CAS No. 131052-47-6

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