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CAS 874297-79-7

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N-Cyclopropyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Description:
N-Cyclopropyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, identified by its CAS number 874297-79-7, is a synthetic organic compound characterized by its unique structural features. It contains a cyclopropyl group and a urea moiety, which contribute to its potential biological activity. The presence of a boron-containing dioxaborolane group enhances its chemical reactivity and may facilitate interactions with biological targets. This compound is typically used in medicinal chemistry and drug discovery, particularly in the development of inhibitors or modulators for various biological pathways. Its solubility, stability, and reactivity can be influenced by the presence of the bulky tetramethyl groups, which may also affect its pharmacokinetic properties. Overall, this compound exemplifies the integration of boron chemistry into organic synthesis, showcasing its potential utility in therapeutic applications. Further studies would be necessary to elucidate its specific biological effects and mechanisms of action.
Formula:C16H23BN2O3
InChI:InChI=1/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
InChI key:InChIKey=TUHNHHNBHVOYFR-UHFFFAOYSA-N
SMILES:CC1(C)OB(C2=CC=C(NC(NC3CC3)=O)C=C2)OC1(C)C
Synonyms:
  • 1-Cyclopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • Urea, N-cyclopropyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • N-Cyclopropyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
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