structure of tert-Butyl azetidine-2-carboxylate

tert-Butyl azetidine-2-carboxylate

CAS No.: 208034-97-3
M. Wt: 157.210
M. Fa: C8H15NO2
InChI Key: KHNFEQCEQIAFES-UHFFFAOYSA-N

Names and Identifiers of tert-Butyl azetidine-2-carboxylate

CAS Number

208034-97-3

IUPAC Name

tert-butyl azetidine-2-carboxylate

InChI

InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-5-9-6/h6,9H,4-5H2,1-3H3

InChIKey

KHNFEQCEQIAFES-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)C1CCN1

Physical and chemical properties of tert-Butyl azetidine-2-carboxylate

Boiling Point

196.5±33.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

157.110275

Flash Point

72.6±25.4 °C

Index of Refraction

1.457

LogP

0.86

Molecular Formula

C8H15NO2

Molecular Weight

157.210

PSA

38.33000

Storage condition

Keep in dark place,Sealed in dry,Store in freezer, under -20°C

Vapour Pressure

0.4±0.4 mmHg at 25°C

Safety Information of tert-Butyl azetidine-2-carboxylate

Pictograms

Signal Word

 Warning

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

Applications of tert-Butyl azetidine-2-carboxylate

Tert-butyl azetidine-2-carboxylate finds applications in several fields:

  • Pharmaceuticals: Its derivatives are explored for their potential as drug candidates due to their biological activities.
  • Synthetic Chemistry: It serves as a versatile building block for synthesizing complex organic molecules.
  • Material Science: The compound may be utilized in developing novel materials with specific properties due to its unique structure.

Interaction Studies of tert-Butyl azetidine-2-carboxylate

Studies on interaction mechanisms involving tert-butyl azetidine-2-carboxylate have revealed insights into its reactivity and binding affinities with various biological targets. These interactions are critical for understanding how modifications to the compound's structure can influence its pharmacological properties. For example, research on its binding interactions with enzymes or receptors can provide valuable information for drug design .

Biological Activity of tert-Butyl azetidine-2-carboxylate

Tert-butyl azetidine-2-carboxylate has been studied for its potential biological activities. Compounds containing the azetidine structure have shown promise in various pharmacological applications, including:

  • Antimicrobial Activity: Some derivatives exhibit activity against bacterial strains.
  • Anticancer Properties: Certain studies suggest that azetidine derivatives may inhibit cancer cell proliferation.
  • Neuroprotective Effects: Research indicates potential neuroprotective effects, making them candidates for treating neurodegenerative diseases.

These biological activities are often attributed to the unique structural features of the azetidine ring and its ability to interact with biological targets.