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CAS 874297-80-0

:

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

Description:
N-Cyclopentyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, with the CAS number 874297-80-0, is a chemical compound characterized by its unique structure that includes a urea moiety and a boron-containing group. This compound features a cyclopentyl group attached to the nitrogen of the urea, which contributes to its steric and electronic properties. The presence of the 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl substituent enhances its potential for applications in medicinal chemistry, particularly in the development of pharmaceuticals. The dioxaborolane unit is known for its ability to participate in various chemical reactions, including those involving boron chemistry, which can be advantageous in synthetic pathways. Additionally, the compound's solubility, stability, and reactivity can be influenced by the cyclopentyl and boron-containing groups, making it a subject of interest in research focused on drug design and development. Overall, this compound exemplifies the intersection of organic chemistry and medicinal applications.
Formula:C18H27BN2O3
InChI:InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-9-11-15(12-10-13)21-16(22)20-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H2,20,21,22)
InChI key:InChIKey=XIRYAWDMLJRGHR-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(NC(NC3CCCC3)=O)C=C2
Synonyms:
  • N-Cyclopentyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • 1-Cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
  • Urea, N-cyclopentyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
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