structure of tert-Butyl (1-benzylazetidin-3-yl)carbamate

tert-Butyl (1-benzylazetidin-3-yl)carbamate

CAS No.: 1000577-78-5
M. Wt: 262.34700
M. Fa: C15H22N2O2
InChI Key: WWOIZPTXNMBINN-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000577-78-5

CAS Number

1000577-78-5

MDL Number

MFCD09878667

IUPAC Name

tert-butyl N-(1-benzylazetidin-3-yl)carbamate

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-13-10-17(11-13)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)

InChIKey

WWOIZPTXNMBINN-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1CN(C1)CC2=CC=CC=C2

UNSPSC Code

12352100

Physical and chemical properties of 1000577-78-5

Boiling Point

369.0±31.0°C at 760 mmHg

Exact Mass

262.16800

LogP

2.72430

Molecular Formula

C15H22N2O2

Molecular Weight

262.34700

PSA

41.57000

Safety Information of 1000577-78-5

Pictograms

Signal Word

 Warning

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

Applications of 1000577-78-5

tert-Butyl (1-benzylazetidin-3-yl)carbamate has potential applications in various fields:

  • Pharmaceutical Development: As a building block in drug synthesis, it may lead to new therapeutics targeting neurological disorders or other diseases.
  • Chemical Biology: Its derivatives could serve as probes for studying enzyme active sites or cellular processes due to their structural characteristics.

Interaction Studies of 1000577-78-5

Interaction studies involving tert-butyl (1-benzylazetidin-3-yl)carbamate focus on its binding affinity and activity against specific biological targets. These studies often employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with target proteins.
  • In Vitro Assays: To evaluate its biological effects on cell lines or isolated enzymes.

Such studies are crucial for understanding its mechanism of action and optimizing its therapeutic potential.