structure of Tert-butyl 2,6-dichloronicotinate

Tert-butyl 2,6-dichloronicotinate

CAS No.: 1013647-75-0
M. Wt: 248.106
M. Fa: C10H11Cl2NO2
InChI Key: GTWXYRAFRYVGNS-UHFFFAOYSA-N
Appearance: Colorless Solid

Names and Identifiers of Tert-butyl 2,6-dichloronicotinate

CAS Number

1013647-75-0

MDL Number

MFCD26396106

IUPAC Name

tert-butyl 2,6-dichloropyridine-3-carboxylate

InChI

InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12/h4-5H,1-3H3

InChIKey

GTWXYRAFRYVGNS-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)C1=C(N=C(C=C1)Cl)Cl

UNSPSC Code

12352100

Physical and chemical properties of Tert-butyl 2,6-dichloronicotinate

Boiling Point

304.3±37.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

247.016678

Flash Point

137.9±26.5 °C

H Bond Acceptors

2

H Bond Donors

0

Index of Refraction

1.528

LogP

3.13

Molecular Formula

C10H11Cl2NO2

Molecular Weight

248.106

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of Tert-butyl 2,6-dichloronicotinate

Pictograms

Signal Word

 Warning

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

Applications of Tert-butyl 2,6-dichloronicotinate

Tert-butyl 2,6-dichloronicotinate has several notable applications:

  • Pharmaceutical Development: Its derivatives are being explored for their potential as new drugs targeting various diseases.
  • Agricultural Chemicals: It can serve as an active ingredient in pesticides or herbicides due to its biological activity against pests.
  • Chemical Intermediates: Used in synthesizing other complex organic molecules in research and industrial applications.

Interaction Studies of Tert-butyl 2,6-dichloronicotinate

Research into the interactions of tert-butyl 2,6-dichloronicotinate with biological systems has revealed:

  • Receptor Binding: Studies indicate that it may bind to specific receptors or enzymes, affecting their activity and leading to biological responses.
  • Metabolic Pathways: Understanding how this compound is metabolized can provide insights into its efficacy and safety profiles in therapeutic contexts.

Biological Activity of Tert-butyl 2,6-dichloronicotinate

Tert-butyl 2,6-dichloronicotinate has been studied for its biological activities, particularly in the context of:

  • Antimicrobial Properties: Some studies suggest that derivatives of this compound exhibit antimicrobial effects against various pathogens.
  • Inhibition of Enzymes: It may act as an inhibitor for certain enzymes involved in metabolic pathways, potentially impacting drug metabolism.
  • Pharmacological

Physical sample testing spectrum (NMR) of Tert-butyl 2,6-dichloronicotinate

Physical sample testing spectrum (NMR) of Tert-butyl 2,6-dichloronicotinate

Retrosynthesis analysis of Tert-butyl 2,6-dichloronicotinate

  • Route#1

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