CAS 497861-79-7

Carbamic acid, [3-oxo-1-(trifluoromethyl)propyl]-, 1,1-dimethylethyl ester

Description:

Carbamic acid, [3-oxo-1-(trifluoromethyl)propyl]-, 1,1-dimethylethyl ester, identified by CAS number 497861-79-7, is an organic compound characterized by its carbamate functional group. This substance features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of the 3-oxo group indicates that it has a ketone functionality, contributing to its reactivity and stability. As an ester, it is likely to exhibit moderate volatility and solubility in organic solvents, while being less soluble in water due to its hydrophobic characteristics. The compound may be of interest in various applications, including pharmaceuticals and agrochemicals, owing to its potential biological activity and the presence of fluorine, which can enhance metabolic stability. Safety data should be consulted for handling and usage, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles. Overall, this compound represents a complex structure with potential utility in chemical synthesis and research.

Formula: C₉H₁₄F₃NO₃

InChI: InChI=1S/C9H14F3NO3/c1-8(2,3)16-7(15)13-6(4-5-14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)

InChI key: InChIKey=PLAVDURWXDAPPV-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)(CC=O)C(F)(F)F

Synonyms:

• Carbamic acid, [3-oxo-1-(trifluoromethyl)propyl]-, 1,1-dimethylethyl ester

tert-butyl N-(1,1,1-trifluoro-4-oxobutan-2-yl)carbamate

CAS: 497861-79-7

tert-butyl N-(1,1,1-trifluoro-4-oxobutan-2-yl)carbamate

Purity: ≥95%

Molecular weight: 241.21g/mol

Ref: 54-PC210119

tert-Butyl N-(1,1,1-trifluoro-4-oxobutan-2-yl)carbamate

CAS: 497861-79-7

Versatile small molecule scaffold

Formula: C₉H₁₄F₃NO₃

Purity: Min. 95%

Molecular weight: 241.21 g/mol

Ref: 3D-XUA86179