CAS 1820686-72-3

1,1-Dimethylethyl N-(3,3-difluorobutyl)carbamate

Description:

1,1-Dimethylethyl N-(3,3-difluorobutyl)carbamate, identified by its CAS number 1820686-72-3, 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 specific structure includes a tert-butyl group (1,1-dimethylethyl) and a 3,3-difluorobutyl moiety, which introduces fluorine atoms into the molecule, potentially affecting its reactivity and biological activity. The presence of fluorine can enhance lipophilicity and metabolic stability. This compound may exhibit properties such as being a potential pesticide or herbicide, given its structural characteristics, which are often associated with agrochemical applications. As with many carbamates, it may also be subject to regulatory scrutiny due to potential toxicity and environmental impact. Proper handling and safety measures are essential when working with this compound in laboratory or industrial settings.

Formula: C₉H₁₇F₂NO₂

InChI: InChI=1S/C9H17F2NO2/c1-8(2,3)14-7(13)12-6-5-9(4,10)11/h5-6H2,1-4H3,(H,12,13)

InChI key: InChIKey=PHOFHBVHGHCCCA-UHFFFAOYSA-N

SMILES: O(C(C)(C)C)C(NCCC(C)(F)F)=O

Synonyms:

• Carbamic acid, N-(3,3-difluorobutyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-(3,3-difluorobutyl)carbamate
• tert-Butyl N-(3,3-difluorobutyl)carbamate

tert-Butyl N-(3,3-difluorobutyl)carbamate

CAS: 1820686-72-3

Versatile small molecule scaffold

Formula: C₉H₁₇F₂NO₂

Purity: Min. 95%

Molecular weight: 209.23 g/mol

Ref: 3D-VXC68672