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CAS 937047-04-6

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1,1-Dimethylethyl N-(4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate

Description:
1,1-Dimethylethyl N-(4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate, identified by its CAS number 937047-04-6, is a chemical compound that features a carbamate functional group, which is characterized by the presence of a carbonyl group (C=O) linked to a nitrogen atom (N) that is also connected to an alkyl or aryl group. This specific compound contains a 4-bromo-2-cyano-1H-pyrrol-1-yl moiety, indicating the presence of a bromine atom and a cyano group attached to a pyrrole ring, which contributes to its biological activity and potential applications in medicinal chemistry. The dimethyl group attached to the nitrogen enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The compound may exhibit interesting pharmacological properties, making it a subject of interest in drug development and agrochemical research. As with many chemical substances, safety data and handling precautions should be considered, as it may pose risks associated with toxicity or environmental impact.
Formula:C10H12BrN3O2
InChI:InChI=1S/C10H12BrN3O2/c1-10(2,3)16-9(15)13-14-6-7(11)4-8(14)5-12/h4,6H,1-3H3,(H,13,15)
InChI key:InChIKey=SIUZUFSQLYFQRR-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)N1C(C#N)=CC(Br)=C1
Synonyms:
  • tert-Butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate
  • Carbamic acid, N-(4-bromo-2-cyano-1H-pyrrol-1-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-(4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate
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