CAS 1335042-18-6

1,1-Dimethylethyl N-[3-methyl-1-(2-oxoethyl)butyl]carbamate

Description:

1,1-Dimethylethyl N-[3-methyl-1-(2-oxoethyl)butyl]carbamate, identified by its CAS number 1335042-18-6, is a chemical compound that belongs to the class of carbamates. This substance typically exhibits characteristics common to carbamate derivatives, such as being a potential inhibitor of certain enzymes and having applications in agricultural chemistry, particularly as a pesticide or herbicide. The molecular structure suggests the presence of a bulky tert-butyl group, which may influence its solubility and reactivity. The compound's functional groups, including the carbamate moiety, contribute to its biological activity and potential interactions with various biological systems. Additionally, the presence of the 3-methyl-1-(2-oxoethyl)butyl group indicates that it may have specific properties related to its steric and electronic characteristics. Overall, while detailed physical and chemical properties such as melting point, boiling point, and solubility are not specified, the compound's structure suggests it may exhibit moderate to high lipophilicity, influencing its behavior in biological and environmental contexts.

Formula: C₁₂H₂₃NO₃

InChI: InChI=1S/C12H23NO3/c1-9(2)8-10(6-7-14)13-11(15)16-12(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,13,15)

InChI key: InChIKey=PXSPQTFERASGAD-UHFFFAOYSA-N

SMILES: N(C(CC(C)C)CC=O)C(OC(C)(C)C)=O

Synonyms:

• Carbamic acid, N-[3-methyl-1-(2-oxoethyl)butyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[3-methyl-1-(2-oxoethyl)butyl]carbamate

tert-Butyl N-(5-methyl-1-oxohexan-3-yl)carbamate

CAS: 1335042-18-6

Versatile small molecule scaffold

Formula: C₁₂H₂₃NO₃

Purity: Min. 95%

Molecular weight: 229.32 g/mol

Ref: 3D-KDC04218