CAS 120771-21-3

3-(1,1-Dimethylethyl)-4-methyl-5-isoxazolamine

Description:

3-(1,1-Dimethylethyl)-4-methyl-5-isoxazolamine, identified by its CAS number 120771-21-3, is a chemical compound that features a unique structure characterized by the presence of an isoxazole ring, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This compound typically exhibits properties associated with amines, including basicity due to the presence of the amino group. The presence of the tert-butyl group (1,1-dimethylethyl) and a methyl group contributes to its hydrophobic characteristics, potentially influencing its solubility in organic solvents. The isoxazole moiety may impart specific reactivity and biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the compound's stability and reactivity can be affected by the substituents on the isoxazole ring, which may influence its interactions in various chemical environments. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry and material science.

Formula: C₈H₁₄N₂O

InChI: InChI=1S/C8H14N2O/c1-5-6(8(2,3)4)10-11-7(5)9/h9H2,1-4H3

InChI key: InChIKey=HJZLQSDADZDFFH-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1C(C)=C(N)ON1

Synonyms:

• 5-Amino-4-methyl-3-tert-butylisoxazole
• 3-tert-Butyl-4-methylisoxazol-5-amine
• 3-tert-Butyl-4-methyl-1,2-oxazol-5-amine
• 3-(1,1-Dimethylethyl)-4-methyl-5-isoxazolamine
• 5-Isoxazolamine, 3-(1,1-dimethylethyl)-4-methyl-

3-(tert-Butyl)-4-methylisoxazol-5-amine

CAS: 120771-21-3

Formula: C₈H₁₄N₂O

Molecular weight: 154.2096

Ref: IN-DA009QRL