structure of 7-Tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-A]pyrazine-2,7(8H)-dicarboxylate

7-Tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-A]pyrazine-2,7(8H)-dicarboxylate

CAS No.: 1000576-75-9
M. Wt: 374.230
M. Fa: C14H20BrN3O4
InChI Key: NYSOBEDMCSUCQS-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000576-75-9

CAS Number

1000576-75-9

MDL Number

MFCD09878582

IUPAC Name

7-O-tert-butyl 2-O-ethyl 3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2,7-dicarboxylate

InChI

InChI=1S/C14H20BrN3O4/c1-5-21-12(19)10-11(15)18-7-6-17(8-9(18)16-10)13(20)22-14(2,3)4/h5-8H2,1-4H3

InChIKey

NYSOBEDMCSUCQS-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=C(N2CCN(CC2=N1)C(=O)OC(C)(C)C)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000576-75-9

Acidity coefficient

2.22±0.20(Predicted)

Boiling Point

495.1±45.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

373.063721

Flash Point

253.2±28.7 °C

H Bond Acceptors

3

H Bond Donors

0

Index of Refraction

1.595

LogP

1.71

Molecular Formula

C14H20BrN3O4

Molecular Weight

374.230

PSA

73.66000

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 1000576-75-9

Pictograms

Signal Word

 Warning

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

Applications of 1000576-75-9

7-Tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-A]pyrazine-2,7(8H)-dicarboxylate has diverse applications in various fields:

  • Medicinal Chemistry: It serves as a building block for synthesizing more complex pharmaceutical compounds.
  • Biological Research: The compound can be utilized in studies investigating its interactions with biomolecules.
  • Industrial Chemistry: It may be used in producing specialty chemicals and advanced materials.

Interaction Studies of 1000576-75-9

Understanding how 7-Tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-A]pyrazine-2,7(8H)-dicarboxylate interacts with biological systems is crucial. Preliminary findings suggest it may bind to specific receptors or enzymes involved in inflammatory pathways. Further research using techniques such as molecular docking and binding affinity assays will clarify these interactions and their implications for therapeutic use.

Biological Activity of 1000576-75-9

Preliminary studies indicate that 7-Tert-butyl 2-ethyl 3-bromo-5,6-dihydroimidazo[1,2-A]pyrazine-2,7(8H)-dicarboxylate exhibits significant biological activity. It has shown potential anti-inflammatory and antimicrobial properties. These effects may arise from its ability to interact with specific biological pathways, although comprehensive pharmacological studies are necessary to fully elucidate its mechanisms of action and effects on human health.

Physical sample testing spectrum (NMR) of 1000576-75-9

Physical sample testing spectrum (NMR) of 1000576-75-9