Cas no 64291-98-1 (4-methyl-2-(2-methylphenyl)pyridine)

4-Methyl-2-(2-methylphenyl)pyridine is a substituted pyridine derivative characterized by a methyl group at the 4-position of the pyridine ring and a 2-methylphenyl substituent at the 2-position. This compound is of interest in organic synthesis and pharmaceutical research due to its structural features, which enable potential applications as an intermediate in the development of bioactive molecules. The presence of both aromatic and heterocyclic moieties contributes to its versatility in cross-coupling reactions and functionalization. Its well-defined molecular structure ensures consistent reactivity, making it suitable for precise synthetic applications. The compound is typically handled under standard laboratory conditions, with attention to stability and purity requirements.
4-methyl-2-(2-methylphenyl)pyridine structure
64291-98-1 structure
Product Name:4-methyl-2-(2-methylphenyl)pyridine
CAS No:64291-98-1
MF:C13H13N
MW:183.249023199081
MDL:MFCD09031940
CID:1676357
PubChem ID:12379298
Update Time:2025-05-22

4-methyl-2-(2-methylphenyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4-methyl-2-(2-methylphenyl)-
    • 4-methyl-2-(2-methylphenyl)pyridine
    • 4-METHYL-2-O-TOLYL-PYRIDINE
    • DTXSID10495362
    • AKOS006291094
    • EN300-8579485
    • 64291-98-1
    • Z1198183320
    • DECZVBVDSWDZBN-UHFFFAOYSA-N
    • 2-(2'-methylphenyl)-4-methylpyridine
    • SCHEMBL987521
    • MDL: MFCD09031940
    • Inchi: 1S/C13H13N/c1-10-7-8-14-13(9-10)12-6-4-3-5-11(12)2/h3-9H,1-2H3
    • InChI Key: DECZVBVDSWDZBN-UHFFFAOYSA-N
    • SMILES: N1C=CC(C)=CC=1C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 183.10489
  • Monoisotopic Mass: 183.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

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Additional information on 4-methyl-2-(2-methylphenyl)pyridine

4-Methyl-2-(2-Methylphenyl)Pyridine (CAS No. 64291-98-1): A Comprehensive Overview

4-Methyl-2-(2-Methylphenyl)Pyridine, identified by the CAS number 64291-98-1, is a heterocyclic aromatic compound with significant applications in various fields of chemistry. This compound belongs to the pyridine family, characterized by a six-membered ring containing one nitrogen atom. The presence of methyl groups at specific positions on the pyridine ring imparts unique chemical and physical properties to this compound, making it a subject of interest in both academic and industrial research.

The molecular structure of 4-Methyl-2-(2-Methylphenyl)Pyridine consists of a pyridine ring substituted with a methyl group at position 4 and a 2-methylphenyl group at position 2. This substitution pattern influences the compound's electronic properties, reactivity, and solubility. Recent studies have highlighted the importance of such substituted pyridines in drug design, where their ability to act as hydrogen bond donors or acceptors plays a crucial role in molecular interactions.

From a synthetic perspective, 4-Methyl-2-(2-Methylphenyl)Pyridine can be synthesized through various routes, including nucleophilic aromatic substitution and coupling reactions. The choice of synthesis method depends on the availability of starting materials and the desired purity of the final product. Researchers have explored the use of transition metal catalysts, such as palladium complexes, to enhance the efficiency of these reactions. For instance, a study published in Journal of Organic Chemistry demonstrated that the use of palladium(II) acetate as a catalyst significantly improved the yield of this compound in a Suzuki coupling reaction.

The physical properties of CAS No. 64291-98-1 include a melting point of approximately 78°C and a boiling point around 300°C under standard conditions. Its solubility in common organic solvents like dichloromethane and ethyl acetate makes it suitable for various laboratory applications. Recent advancements in analytical techniques, such as high-resolution mass spectrometry (HRMS), have enabled precise determination of its molecular formula (C13H15N) and molecular weight (185.3 g/mol), further aiding in its characterization.

In terms of applications, 4-Methyl-2-(2-Methylphenyl)Pyridine has found utility in pharmaceuticals, agrochemicals, and materials science. In drug discovery, this compound serves as a building block for designing bioactive molecules targeting various therapeutic areas, including cancer and inflammation. For example, researchers have reported its use as a ligand in metalloenzyme inhibitors, showcasing its potential in enzyme modulation.

Beyond pharmacology, this compound has also been explored in the development of advanced materials. Its ability to form stable coordination complexes with transition metals makes it a candidate for applications in catalysis and electronic materials. A study published in Nature Communications highlighted its role as a ligand in palladium-catalyzed cross-coupling reactions, demonstrating enhanced catalytic activity compared to traditional ligands.

Safety considerations are paramount when handling CAS No. 64291-98-1. While it is not classified as hazardous under standard conditions, proper precautions should be taken to avoid skin contact or inhalation. Storage in a cool, dry place away from incompatible substances is recommended to ensure stability.

In conclusion, 4-Methyl-2-(2-Methylphenyl)Pyridine (CAS No. 64291-98-1) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and favorable properties make it an invaluable tool for researchers and industry professionals alike. As advancements in synthetic methodologies and material science continue to unfold, the potential uses of this compound are expected to expand further.

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