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CAS 939757-25-2

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1,1-Dimethylethyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate

Description:
1,1-Dimethylethyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate, identified by its CAS number 939757-25-2, 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 attached to an alkyl or aryl group. The compound contains a dimethyl group, contributing to its steric bulk, and a nitrophenyl moiety, which can impart specific electronic properties and reactivity. The presence of the hydroxy group enhances its solubility in polar solvents and may influence its biological activity. Typically, compounds of this nature are studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise values, but they are influenced by the molecular structure and functional groups present in the compound.
Formula:C13H18N2O5
InChI:InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)14-8-11(16)9-4-6-10(7-5-9)15(18)19/h4-7,11,16H,8H2,1-3H3,(H,14,17)
InChI key:InChIKey=KGKAWXRTWRYBLB-UHFFFAOYSA-N
SMILES:C(CNC(OC(C)(C)C)=O)(O)C1=CC=C(N(=O)=O)C=C1
Synonyms:
  • Carbamic acid, N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate
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