Synthesis, Characterization, and Single Crystal Structure of 4-(3-methoxy-4-(prop-2-yn-1-yloxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Scientific Essay , 2010 , 28 Pages

Chemistry - General

This paper deals with the synthesis of some novel 1,4-Dihydropyride derivatives derivatives. The 1,4-Dicyanopyride (DHPM ) derivatives have been synthesized through novel synthetic process.

The synthesized compound was well characterized by IR, 1H NMR and 13C NMR, Mass spectrometry. To know the absolute configuration of the synthesized compounds, X-Ray crystallography study was also performed by developing the crystal of the compounds.

Inhaltsverzeichnis (Table of Contents)

• 1 Introduction
• 1.1 Experimental
• 1.1.1 Analysis Protocol
• 1.1.2 Reaction Scheme of (3-methoxy-4-(prop-2-yn-1yloxy)phenyl)-2,6-dimethyl-1,4dihydropyridine-3,5-dicarbonitrile
• 1.1.3 Preparation of (3-methoxy-4-(prop-2-yn-1yloxy)phenyl)-2,6-dimethyl-1,4dihydropyridine-3,5-dicarbonitrile
• 1.2 Spectral Discussion
• 1.2.1 IR Spectra
• 1.2.2 Mass Spectra
• 1.2.3 1H NMR Spectra
• 1.2.4 13C NMR Spectra
• 1.2.5 Spectral Analysis of (3-methoxy-4-(prop-2-yn-1yloxy)phenyl)-2,6-dimethyl-1,4dihydropyridine-3,5-dicarbonitrile
• 1.2.6 Preparation of Single Crystals of (3-methoxy-4-(prop-2-yn�1yloxy)phenyl)-2,6-dimethyl-1,4dihydropyridine-3,5-dicarbonitrile
• 1.3 X-ray Diffraction Data for (3-methoxy-4-(prop-2-yn�1yloxy)phenyl)-2,6-dimethyl-1,4dihydropyridine-3,5-dicarbonitrile
• 1.4 Experimental Details
• 1.5 Crystal Structure Images
• 1.5.1 Represents the ORTEP of the molecule (3) with thermal ellipsoids drawn at 50% probability
• 1.6 Packing diagram of the molecules when viewed down the b axis.
• 1.7 Representative spectrums
• 1.7.1 Infrared Spectrum of Compound (3)
• 1.7.2 Mass Spectrum of Compound (3)
• 1.7.3 1H Spectrum of Compound (3)
• 1.7.4 13C Spectrum of Compound (3)

Zielsetzung und Themenschwerpunkte (Objectives and Key Themes)

This chapter focuses on the synthesis, characterization, and single crystal structure of the 1,4-dihydropyridine derivative, 4-(3-methoxy-4-(prop-2-yn-1-yloxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile. The work aims to provide a detailed analysis of this compound through various spectroscopic techniques including IR, mass, and NMR. The chapter also presents the crystal structure and its characteristics.

• Synthesis and Characterization of a novel 1,4-dihydropyridine derivative
• Spectroscopic analysis of the synthesized compound
• Single crystal X-ray diffraction study
• Crystallographic data analysis and structural elucidation
• Structural features and packing arrangement of the molecule

Zusammenfassung der Kapitel (Chapter Summaries)

The introduction provides background information on 1,4-dihydropyridines and their importance in various fields, including medicine and drug discovery. The experimental section details the protocol used for the synthesis and characterization of the target compound. It includes information on melting point determination, IR, NMR, mass spectrometry, and TLC analysis. The spectral discussion section elaborates on the interpretation of the obtained spectra, providing insights into the structure and functional groups present in the compound. The section on X-ray diffraction data presents the crystallographic parameters and structural details of the compound. The chapter concludes with a detailed analysis of the experimental details and the crystal structure, including bond lengths, angles, and torsion angles. The final sections provide illustrations of the crystal structure and representative spectrums of the compound.

Schlüsselwörter (Keywords)

The chapter centers around the synthesis, characterization, and crystal structure of a novel 1,4-dihydropyridine derivative, specifically 4-(3-methoxy-4-(prop-2-yn-1-yloxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile. Key concepts explored include spectroscopic analysis using IR, mass, and NMR techniques, single crystal X-ray diffraction, crystallographic parameters, bond lengths, angles, and torsion angles. The chapter further investigates the structural features and packing arrangement of the molecule.

• Authors: Krunalkumar R. Mehariya (Author), Bhagwati K. Gauni Mehariya (Author)
• Publication Year: 2010
• Pages: 28
• Catalog Number: V321425
• ISBN (eBook): 9783668216167
• ISBN (Book): 9783668216174
• Language: English
• Tags: synthesis, characterization, single, crystal, structure