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CAS 1256355-11-9

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C-(1,1-Dimethylethyl) N-[4-borono-3,5-dimethylphenyl]carbamate

Description:
C-(1,1-Dimethylethyl) N-[4-borono-3,5-dimethylphenyl]carbamate, identified by its CAS number 1256355-11-9, is a chemical compound that 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. This specific compound includes a tert-butyl group (1,1-dimethylethyl) and a boronic acid moiety, which is known for its ability to form reversible covalent bonds with diols, making it useful in various applications, including drug development and materials science. The presence of the dimethylphenyl group suggests potential interactions with biological systems, as phenyl rings can participate in π-π stacking and hydrophobic interactions. Overall, this compound may exhibit unique properties due to its structural features, including potential reactivity and solubility characteristics, which can be influenced by the steric and electronic effects of the substituents present.
Formula:C13H20BNO4
InChI:InChI=1S/C13H20BNO4/c1-8-6-10(7-9(2)11(8)14(17)18)15-12(16)19-13(3,4)5/h6-7,17-18H,1-5H3,(H,15,16)
InChI key:InChIKey=DBCMLDOLGISAAM-UHFFFAOYSA-N
SMILES:B(O)(O)C1=C(C)C=C(NC(OC(C)(C)C)=O)C=C1C
Synonyms:
  • Carbamic acid, N-[4-borono-3,5-dimethylphenyl]-, C-(1,1-dimethylethyl) ester
  • C-(1,1-Dimethylethyl) N-[4-borono-3,5-dimethylphenyl]carbamate
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