CAS 1803612-22-7

1,1-Dimethylethyl N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-5-isoxazolyl]methyl]carbamate

Description:

1,1-Dimethylethyl N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-5-isoxazolyl]methyl]carbamate, identified by its CAS number 1803612-22-7, is a chemical compound that belongs to the class of carbamates. This substance features a complex molecular structure characterized by the presence of a dimethyl group and an isoxazole ring, which contributes to its unique chemical properties. The compound is likely to exhibit moderate to high lipophilicity due to the presence of aromatic groups, which can influence its solubility and bioavailability. Additionally, the isoxazole moiety may impart specific biological activities, making it of interest in pharmaceutical research. The presence of the carbamate functional group suggests potential reactivity, particularly in biological systems, where it may interact with enzymes or receptors. Overall, this compound's characteristics, including its molecular structure and functional groups, suggest potential applications in medicinal chemistry and agrochemicals, although specific biological activity and toxicity profiles would require further investigation.

Formula: C₁₇H₂₄N₂O₃

InChI: InChI=1S/C17H24N2O3/c1-11-6-7-13(8-12(11)2)15-9-14(22-19-15)10-18-16(20)21-17(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,18,20)

InChI key: InChIKey=KKPSBLMEUDTRKD-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C1CC(=NO1)C2=CC(C)=C(C)C=C2

Synonyms:

• tert-Butyl N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
• Carbamic acid, N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-5-isoxazolyl]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-5-isoxazolyl]methyl]carbamate

tert-Butyl N-{[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate

CAS: 1803612-22-7

Versatile small molecule scaffold

Formula: C₁₇H₂₄N₂O₃

Purity: Min. 95%

Molecular weight: 304.4 g/mol

Ref: 3D-DXC61222