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CAS 957120-67-1

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4-[[(Tetrahydro-2H-pyran-2-yl)oxy]methyl]-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-1H-1,2,3-triazole

Description:
The chemical substance known as 4-[[(Tetrahydro-2H-pyran-2-yl)oxy]methyl]-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-1H-1,2,3-triazole, with the CAS number 957120-67-1, is a complex organic compound characterized by its unique structural features. It contains a triazole ring, which is a five-membered heterocyclic compound known for its stability and biological activity. The presence of a tetrahydro-2H-pyran moiety suggests potential solubility in organic solvents and possible interactions with biological systems. Additionally, the incorporation of a boron-containing group, specifically a dioxaborolane, indicates potential applications in medicinal chemistry, particularly in drug design and development due to boron's role in enhancing biological activity and selectivity. The compound's functional groups, including ether and phenoxy functionalities, may contribute to its reactivity and interaction with various biological targets. Overall, this compound's intricate structure positions it as a candidate for further investigation in pharmaceutical applications, particularly in the fields of oncology and infectious diseases.
Formula:C22H32BN3O5
InChI:InChI=1S/C22H32BN3O5/c1-21(2)22(3,4)31-23(30-21)17-8-10-19(11-9-17)27-14-12-26-15-18(24-25-26)16-29-20-7-5-6-13-28-20/h8-11,15,20H,5-7,12-14,16H2,1-4H3
InChI key:InChIKey=USXCUHBUPFYBBL-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(OCCN3C=C(COC4CCCCO4)N=N3)C=C2
Synonyms:
  • 4-[[(Tetrahydro-2H-pyran-2-yl)oxy]methyl]-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-1H-1,2,3-triazole
  • 1H-1,2,3-Triazole, 4-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-
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