structure of tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

CAS No.: 1001754-82-0
M. Wt: 297.780
M. Fa: C14H20ClN3O2
InChI Key: QLZAPBRELYGZIY-UHFFFAOYSA-N
Appearance: Light Yellow To Yellow Solid

Names and Identifiers of 1001754-82-0

CAS Number

1001754-82-0

MDL Number

MFCD10001439

IUPAC Name

tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate

InChI

InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-8-5-10(6-9-18)11-4-7-16-12(15)17-11/h4,7,10H,5-6,8-9H2,1-3H3

InChIKey

QLZAPBRELYGZIY-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(C2=CC=NC(Cl)=N2)CC1

UNSPSC Code

12352100

Physical and chemical properties of 1001754-82-0

Boiling Point

436.1±38.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

297.124420

Flash Point

217.5±26.8 °C

Index of Refraction

1.535

LogP

1.74

Molecular Formula

C14H20ClN3O2

Molecular Weight

297.780

PSA

55.32000

Storage condition

2-8°C

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1001754-82-0

Pictograms

Signal Word

 Warning

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

Applications of 1001754-82-0

tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate has several applications in medicinal chemistry and pharmacology:

  • Drug Development: It serves as a lead compound for synthesizing new drugs targeting specific biological pathways.
  • Research Tool: The compound is utilized in biochemical assays to study enzyme inhibition and receptor interactions.
  • Chemical Probe: Its unique structure allows researchers to investigate biological mechanisms at a molecular level.

Interaction Studies of 1001754-82-0

Interaction studies involving tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate focus on its binding affinity to various biological targets. These studies often employ techniques such as surface plasmon resonance and fluorescence spectroscopy to elucidate the nature of these interactions. Preliminary findings suggest that the compound demonstrates significant affinity for certain protein targets, which may correlate with its observed biological effects.

Biological Activity of 1001754-82-0

Research indicates that tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate exhibits notable biological activities, particularly as a potential pharmacological agent. It has been studied for its inhibitory effects on certain enzymes and receptors involved in disease processes, including those related to cancer and neurological disorders. The compound's unique structure allows it to interact selectively with biological targets, which may lead to the development of new therapeutic agents.

Physical sample testing spectrum (NMR) of 1001754-82-0

Physical sample testing spectrum (NMR) of 1001754-82-0