structure of 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol

2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol

CAS No.: 1000339-34-3
M. Wt: 282.13600
M. Fa: C11H12BrN3O
InChI Key: RSIHPLASTHLNBG-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000339-34-3

CAS Number

1000339-34-3

MDL Number

MFCD09878410

IUPAC Name

2-[1-(4-bromophenyl)triazol-4-yl]propan-2-ol

InChI

InChI=1S/C11H12BrN3O/c1-11(2,16)10-7-15(14-13-10)9-5-3-8(12)4-6-9/h3-7,16H,1-2H3

InChIKey

RSIHPLASTHLNBG-UHFFFAOYSA-N

Canonical SMILES

CC(C)(O)C1=CN(C2=CC=C(Br)C=C2)N=N1

UNSPSC Code

12352100

Physical and chemical properties of 1000339-34-3

Exact Mass

281.01600

LogP

2.25720

Molecular Formula

C11H12BrN3O

Molecular Weight

282.13600

PSA

50.94000

Storage condition

2-8°C

Safety Information of 1000339-34-3

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000339-34-3

The applications of 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol extend into various fields:

  • Medicinal Chemistry: As a potential antifungal agent, it can be developed into pharmaceuticals targeting fungal infections.
  • Material Science: The compound may serve as a precursor for creating functional materials due to its unique chemical properties.
  • Biochemical Research: It can be utilized in studies investigating enzyme inhibition and other biological interactions.

Interaction Studies of 1000339-34-3

Interaction studies have shown that triazole derivatives can bind to various biological targets. For instance, research indicates that 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol may interact with cytochrome P450 enzymes involved in drug metabolism . These interactions are crucial for understanding the pharmacokinetics and potential drug-drug interactions when used therapeutically.

Biological Activity of 1000339-34-3

Compounds containing triazole rings are known for their diverse biological activities, including antifungal, antibacterial, and anticancer properties. Specifically, 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol has been studied for its potential antifungal activity against various strains of Candida, showcasing its role in medicinal chemistry . Furthermore, triazoles are recognized for their ability to inhibit enzymes involved in fungal cell wall synthesis, contributing to their effectiveness as antifungal agents.

Retrosynthesis analysis of 1000339-34-3

  • Route#1

    Cas:106-40-1
    Cas:1000339-34-3
  • Route#2

    Cas:115-19-5
    Cas:1000339-34-3