structure of 3-(Benzyloxy)cyclobutanol

3-(Benzyloxy)cyclobutanol

CAS No.: 100058-61-5
M. Wt: 178.22800
M. Fa: C11H14O2
InChI Key: ZGSDRBWWICYJBU-UHFFFAOYSA-N
Appearance: yellow oil

Names and Identifiers of 100058-61-5

CAS Number

100058-61-5

EC Number

813-198-6

MDL Number

MFCD21756137

IUPAC Name

3-phenylmethoxycyclobutan-1-ol

InChI

InChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

ZGSDRBWWICYJBU-UHFFFAOYSA-N

Canonical SMILES

C1C(CC1OCC2=CC=CC=C2)O

UNSPSC Code

12352100

Physical and chemical properties of 100058-61-5

Exact Mass

178.09900

LogP

1.72650

Molecular Formula

C11H14O2

Molecular Weight

178.22800

PSA

29.46000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 100058-61-5

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 100058-61-5

3-(Benzyloxy)cyclobutanol finds applications across various domains:

  • Organic Synthesis: It serves as a building block for more complex molecules in organic chemistry.
  • Medicinal Chemistry: Its potential as an antiviral agent makes it a candidate for drug development.
  • Fine Chemicals Production: The compound is utilized in the manufacture of fine chemicals and pharmaceuticals, highlighting its industrial significance.

Interaction Studies of 100058-61-5

Studies on 3-(Benzyloxy)cyclobutanol have indicated its ability to interact with biological targets, particularly in enzyme inhibition. Its predicted pharmacokinetic properties suggest high gastrointestinal absorption and permeability across biological membranes, including the blood-brain barrier. These characteristics are crucial for evaluating its therapeutic potential.

Biological Activity of 100058-61-5

Research indicates that 3-(Benzyloxy)cyclobutanol exhibits potential biological activities, particularly as an inhibitor of enzymes like HIV-1 reverse transcriptase. This suggests its candidacy for antiviral drug development. Additionally, studies have explored its interactions with various biomolecules, highlighting its relevance in medicinal chemistry.

Physical sample testing spectrum (NMR) of 100058-61-5

Physical sample testing spectrum (NMR) of 100058-61-5

Retrosynthesis analysis of 100058-61-5

  • Route#1

    Cas:30830-27-4
    Cas:100058-61-5