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CAS 874299-05-5

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

Description:
N-Propyl-N′-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea is a chemical compound characterized by its unique structure, which includes a urea functional group and a boron-containing moiety. The presence of the tetramethyl-1,3,2-dioxaborolane group suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of boron-based reagents or catalysts. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic alkyl chain and aromatic components. Its molecular structure may confer specific reactivity patterns, making it useful in cross-coupling reactions or as a building block in the synthesis of more complex molecules. Additionally, the urea group can participate in hydrogen bonding, influencing its interactions with biological targets or other chemical species. Safety and handling precautions should be observed, as with any chemical substance, particularly those containing boron, which can have specific environmental and health considerations.
Formula:C16H25BN2O3
InChI:InChI=1S/C16H25BN2O3/c1-6-10-18-14(20)19-13-9-7-8-12(11-13)17-21-15(2,3)16(4,5)22-17/h7-9,11H,6,10H2,1-5H3,(H2,18,19,20)
InChI key:InChIKey=FAVZEVVWGLWZCE-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(NC(NCCC)=O)=CC=C2
Synonyms:
  • Urea, N-propyl-N′-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • N-Propyl-N′-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
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