structure of 2-[[(Tetrahydropyran-2-yl)oxy]methyl]benzaldehyde

2-[[(Tetrahydropyran-2-yl)oxy]methyl]benzaldehyde

CAS No.: 99948-47-7
M. Wt: 220.26400
M. Fa: C13H16O3
InChI Key: FEGNADMYWSPCJP-UHFFFAOYSA-N
Appearance: Pale-red Solid

Names and Identifiers of 99948-47-7

CAS Number

99948-47-7

MDL Number

MFCD26523290

IUPAC Name

2-(oxan-2-yloxymethyl)benzaldehyde

InChI

InChI=1S/C13H16O3/c14-9-11-5-1-2-6-12(11)10-16-13-7-3-4-8-15-13/h1-2,5-6,9,13H,3-4,7-8,10H2

InChIKey

FEGNADMYWSPCJP-UHFFFAOYSA-N

Canonical SMILES

C1CCOC(C1)OCC2=CC=CC=C2C=O

UNSPSC Code

12352100

Physical and chemical properties of 99948-47-7

Exact Mass

220.11000

H Bond Acceptors

3

H Bond Donors

0

LogP

2.54230

Molecular Formula

C13H16O3

Molecular Weight

220.26400

PSA

35.53000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Safety Information of 99948-47-7

Pictograms

Signal Word

 Warning

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

Applications of 99948-47-7

2-[[(Tetrahydropyran-2-yl)oxy]methyl]benzaldehyde has potential applications in various fields:

  • Pharmaceuticals: Due to its structural characteristics, it may serve as a precursor for drug development.
  • Organic Synthesis: It can be utilized as an intermediate in synthesizing more complex organic molecules.
  • Flavoring Agents: Compounds with similar structures are often explored for use in flavoring and fragrance formulations.

Interaction Studies of 99948-47-7

Interaction studies involving 2-[[(Tetrahydropyran-2-yl)oxy]methyl]benzaldehyde may focus on its reactivity with biological macromolecules or other small molecules. Potential areas of study include:

  • Protein Binding: Investigating how this compound interacts with proteins could provide insights into its biological activity.
  • Enzyme Inhibition: Understanding whether it acts as an inhibitor or activator of specific enzymes could reveal therapeutic potentials.

Such studies are crucial for elucidating the compound's role in biological systems.

Physical sample testing spectrum (NMR) of 99948-47-7

Physical sample testing spectrum (NMR) of 99948-47-7

Retrosynthesis analysis of 99948-47-7

  • Route#1

    Cas:68-12-2
    Cas:99948-47-7