structure of tert-butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate

tert-butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate

CAS No.: 1000207-52-2
M. Wt: 352.859
M. Fa: C17H25ClN4O2
InChI Key: -

Names and Identifiers of 1000207-52-2

CAS Number

1000207-52-2

IUPAC Name

tert-butyl 4-[(2-chloranyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidine-1-carboxylate

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=NC3=C2CCC3)Cl

Physical and chemical properties of 1000207-52-2

Boiling Point

533.5±50.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

352.166595

Flash Point

276.5±30.1 °C

Index of Refraction

1.593

LogP

3.47

Molecular Formula

C17H25ClN4O2

Molecular Weight

352.859

PSA

67.35000

Vapour Pressure

0.0±1.4 mmHg at 25°C

Applications of 1000207-52-2

Tert-butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate may find applications in several fields:

  • Pharmaceuticals: As a potential lead compound for drug development targeting various diseases, particularly those related to cancer or viral infections.
  • Chemical Research: As an intermediate in the synthesis of more complex organic molecules or as a reference compound in analytical studies.

Interaction Studies of 1000207-52-2

Interaction studies are crucial for understanding how tert-butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate interacts with biological systems:

  • Receptor Binding Studies: Investigating binding affinities to specific receptors can reveal its mechanism of action.
  • Enzyme Inhibition Studies: Assessing its ability to inhibit enzymes related to disease pathways could provide insights into its therapeutic potential.

These studies are essential for evaluating the safety and efficacy of this compound in biological contexts.

Retrosynthesis analysis of 1000207-52-2

  • Route#1

    Cas:5466-43-3
    Cas:87120-72-7
    Cas:1000207-52-2