CAS 1214899-76-9

1,1-Dimethylethyl N-(6-bromo-1,2-benzisoxazol-3-yl)carbamate

Description:

1,1-Dimethylethyl N-(6-bromo-1,2-benzisoxazol-3-yl)carbamate, identified by its CAS number 1214899-76-9, is a chemical compound that features a carbamate functional group linked to a benzisoxazole moiety. This compound is characterized by its unique structure, which includes a bulky tert-butyl group (1,1-dimethylethyl) that can influence its solubility and reactivity. The presence of the bromine atom in the benzisoxazole ring may impart specific electronic properties, potentially affecting its biological activity and interactions with other molecules. The compound is likely to exhibit moderate to high lipophilicity due to the tert-butyl group, which can enhance membrane permeability. Additionally, the benzisoxazole structure is known for its applications in medicinal chemistry, often associated with various biological activities. Overall, this compound's characteristics suggest potential utility in pharmaceutical applications, although specific biological data would be necessary to fully understand its activity and safety profile.

Formula: C₁₂H₁₃BrN₂O₃

InChI: InChI=1S/C12H13BrN2O3/c1-12(2,3)17-11(16)14-10-8-5-4-7(13)6-9(8)18-15-10/h4-6H,1-3H3,(H,14,15,16)

InChI key: InChIKey=JGRNGGQZMWBZTG-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C=1C=2C(ON1)=CC(Br)=CC2

Synonyms:

• Carbamic acid, N-(6-bromo-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-(6-bromo-1,2-benzisoxazol-3-yl)carbamate

tert-Butyl (6-bromobenzo[d]isoxazol-3-yl)carbamate

CAS: 1214899-76-9

tert-Butyl (6-bromobenzo[d]isoxazol-3-yl)carbamate

Purity: 97%

Molecular weight: 313.15g/mol

Ref: 54-OR1057969