CAS 561304-42-5

1,1-Dimethylethyl N-[3-(trifluoromethoxy)phenyl]carbamate

Description:

1,1-Dimethylethyl N-[3-(trifluoromethoxy)phenyl]carbamate, with the CAS number 561304-42-5, is a chemical compound that belongs to the class of carbamates. This substance features a tert-butyl group, which contributes to its steric hindrance and lipophilicity, enhancing its potential as a pesticide or herbicide. The presence of the trifluoromethoxy group on the phenyl ring imparts unique electronic properties, potentially increasing the compound's reactivity and stability. The trifluoromethoxy moiety is known for enhancing biological activity and improving the compound's solubility in organic solvents. Additionally, the carbamate functional group is characterized by its ability to undergo hydrolysis, which can influence the compound's persistence in the environment. Overall, this compound's structural features suggest it may exhibit significant biological activity, making it of interest in agricultural chemistry and related fields. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with carbamate derivatives.

Formula: C₁₂H₁₄F₃NO₃

InChI: InChI=1S/C12H14F3NO3/c1-11(2,3)19-10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)

InChI key: InChIKey=SAQHODCHBIFMJB-UHFFFAOYSA-N

SMILES: O(C(F)(F)F)C1=CC(NC(OC(C)(C)C)=O)=CC=C1

Synonyms:

• Carbamic acid, N-[3-(trifluoromethoxy)phenyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [3-(trifluoromethoxy)phenyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[3-(trifluoromethoxy)phenyl]carbamate

tert-Butyl N-[3-(trifluoromethoxy)phenyl]carbamate

CAS: 561304-42-5

Versatile small molecule scaffold

Formula: C₁₂H₁₄F₃NO₃

Purity: Min. 95%

Molecular weight: 277.24 g/mol

Ref: 3D-LXA30442