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CAS 1909317-22-1

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1,1-Dimethylethyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate

Description:
1,1-Dimethylethyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate, identified by its CAS number 1909317-22-1, 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 branched alkyl group (1,1-dimethylethyl) and a substituted propyl chain that includes a bromine atom and a fluorinated phenyl ring, contributing to its unique chemical properties. The presence of halogens, such as bromine and fluorine, often enhances the compound's biological activity and lipophilicity, making it of interest in pharmaceutical and agrochemical applications. Additionally, the steric hindrance introduced by the dimethyl groups may influence its reactivity and interactions with biological targets. Overall, this compound's structure suggests potential utility in various chemical and biological contexts, warranting further investigation into its properties and applications.
Formula:C14H19BrFNO2
InChI:InChI=1S/C14H19BrFNO2/c1-14(2,3)19-13(18)17-9-11(8-15)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChI key:InChIKey=OANOJKAXOQQSNN-UHFFFAOYSA-N
SMILES:C(CNC(OC(C)(C)C)=O)(CBr)C1=CC=C(F)C=C1
Synonyms:
  • 1,1-Dimethylethyl N-[3-bromo-2-(4-fluorophenyl)propyl]carbamate
  • Carbamic acid, N-[3-bromo-2-(4-fluorophenyl)propyl]-, 1,1-dimethylethyl ester
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