structure of tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

CAS No.: 1000577-81-0
M. Wt: 318.230
M. Fa: C12H16BrNO2S
InChI Key: OZMHRZWKQLSLQP-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000577-81-0

CAS Number

1000577-81-0

EC Number

870-966-3

MDL Number

MFCD09878671

IUPAC Name

tert-butyl 3-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

InChI

InChI=1S/C12H16BrNO2S/c1-12(2,3)16-11(15)14-5-4-10-8(6-14)9(13)7-17-10/h7H,4-6H2,1-3H3

InChIKey

OZMHRZWKQLSLQP-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CS2)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000577-81-0

Boiling Point

384.6±42.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

317.008514

Flash Point

186.4±27.9 °C

Index of Refraction

1.576

LogP

3.35

Molecular Formula

C12H16BrNO2S

Molecular Weight

318.230

PSA

57.78000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000577-81-0

Pictograms

Signal Word

 Warning

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

Applications of 1000577-81-0

Tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate has potential applications in:

  • Pharmaceutical Development: As a lead compound for developing new drugs targeting microbial infections or cancer.
  • Chemical Research: As a building block for synthesizing more complex organic molecules.
  • Biological Studies: In research focused on understanding the mechanisms of action of thieno[3,2-c]pyridine derivatives in biological systems.

Interaction Studies of 1000577-81-0

Interaction studies involving tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate focus on its binding affinity with various biological targets:

  • Enzyme Inhibition: Evaluating its role as an inhibitor for specific enzymes linked to disease pathways.
  • Receptor Binding Studies: Investigating how well it binds to receptors involved in neurotransmission or cancer cell proliferation.

These studies are crucial for determining the therapeutic potential and safety profile of the compound.

Biological Activity of 1000577-81-0

Research indicates that compounds related to thieno[3,2-c]pyridine structures exhibit various biological activities, including:

  • Antimicrobial Properties: Some derivatives have shown effectiveness against bacterial strains.
  • Anticancer Activity: Thieno[3,2-c]pyridines have been investigated for their potential in cancer therapy due to their ability to inhibit tumor growth.
  • Neuroprotective Effects: Certain analogs have demonstrated protective effects on neuronal cells, suggesting potential in treating neurodegenerative diseases.

The specific biological activity of tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate is still under investigation, but its structural features suggest promising pharmacological potential.

Physical sample testing spectrum (NMR) of 1000577-81-0

Physical sample testing spectrum (NMR) of 1000577-81-0

Retrosynthesis analysis of 1000577-81-0

  • Route#1

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