CAS 1235440-72-8

1,1-Dimethylethyl N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate

Description:

1,1-Dimethylethyl N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate, identified by its CAS number 1235440-72-8, is a chemical compound that belongs to the class of carbamates. This substance features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) bonded to a nitrogen atom (N) that is also connected to an alkyl or aryl group. The compound contains a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and solubility. Additionally, the presence of a chloromethyl group and a trifluoromethyl group on the phenyl ring suggests that it may exhibit unique electronic properties and reactivity patterns, making it of interest in various chemical applications, including agrochemicals and pharmaceuticals. The trifluoromethyl group, in particular, is known to enhance lipophilicity and metabolic stability. Overall, this compound's structure indicates potential utility in synthetic chemistry and material science, although specific applications would depend on further research and development.

Formula: C₁₃H₁₅ClF₃NO₂

InChI: InChI=1S/C13H15ClF3NO2/c1-12(2,3)20-11(19)18-10-5-8(7-14)4-9(6-10)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)

InChI key: InChIKey=YXCWIXZTHGEEJV-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=CC(C(F)(F)F)=CC(CCl)=C1

Synonyms:

• 1,1-Dimethylethyl N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate
• Carbamic acid, N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester

tert-Butyl N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate

CAS: 1235440-72-8

Versatile small molecule scaffold

Formula: C₁₃H₁₅ClF₃NO₂

Purity: Min. 95%

Molecular weight: 309.71 g/mol

Ref: 3D-KZB44072