Cas no 1368804-93-6 (2-(3,5-Dimethylphenyl)pyridin-3-amine)

2-(3,5-Dimethylphenyl)pyridin-3-amine is a heterocyclic aromatic compound featuring a pyridine core substituted with an amine group at the 3-position and a 3,5-dimethylphenyl moiety at the 2-position. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its rigid aromatic framework enhances stability, while the amine group offers reactivity for further functionalization. The dimethylphenyl substitution contributes to increased lipophilicity, potentially improving bioavailability in drug development applications. The compound is particularly useful in the preparation of ligands for catalysis and as a building block for biologically active molecules, owing to its balanced steric and electronic characteristics.
2-(3,5-Dimethylphenyl)pyridin-3-amine structure
1368804-93-6 structure
Product Name:2-(3,5-Dimethylphenyl)pyridin-3-amine
CAS No:1368804-93-6
MF:C13H14N2
MW:198.263662815094
MDL:MFCD21882287
CID:4591515
PubChem ID:80502433
Update Time:2025-11-06

2-(3,5-Dimethylphenyl)pyridin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-Dimethylphenyl)pyridin-3-amine
    • W19397
    • AKOS019066638
    • AS-63381
    • 1368804-93-6
    • MDL: MFCD21882287
    • Inchi: 1S/C13H14N2/c1-9-6-10(2)8-11(7-9)13-12(14)4-3-5-15-13/h3-8H,14H2,1-2H3
    • InChI Key: CQTKHLHHKRNZHJ-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C=1C1C=C(C)C=C(C)C=1)N

Computed Properties

  • Exact Mass: 198.115698455g/mol
  • Monoisotopic Mass: 198.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 2.6
  • Topological Polar Surface Area: 38.9

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Additional information on 2-(3,5-Dimethylphenyl)pyridin-3-amine

2-(3,5-Dimethylphenyl)pyridin-3-amine: A Comprehensive Overview

2-(3,5-Dimethylphenyl)pyridin-3-amine, also known by its CAS number 1368804-93-6, is a versatile organic compound that has garnered significant attention in the fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a pyridine ring with a substituted phenyl group. The presence of the amino group at the 3-position of the pyridine ring and the dimethyl substitution on the phenyl group imparts distinctive electronic and steric properties to the molecule.

The synthesis of 2-(3,5-Dimethylphenyl)pyridin-3-amine involves a series of well-established organic reactions, including nucleophilic aromatic substitution and coupling reactions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, making it more accessible for various applications. The compound's structure allows for further functionalization, which is a key factor in its utility across different industries.

In terms of applications, 2-(3,5-Dimethylphenyl)pyridin-3-amine has shown promise in drug discovery and development. Its ability to act as a ligand in metalloenzyme mimics has been explored in recent studies, highlighting its potential in catalytic processes. Additionally, this compound has been investigated for its role in the synthesis of advanced materials, such as coordination polymers and metal-organic frameworks (MOFs). These materials exhibit unique properties that are valuable in gas storage, sensing, and catalysis.

The electronic properties of 2-(3,5-Dimethylphenyl)pyridin-3-amine make it an attractive candidate for use in optoelectronic devices. Recent research has focused on its application in organic light-emitting diodes (OLEDs) and photovoltaic cells. The compound's ability to modulate electron transport properties through its substituents has been extensively studied, with promising results suggesting its potential for enhancing device performance.

Beyond its technical applications, 2-(3,5-Dimethylphenyl)pyridin-3-amine has also been explored for its biological activity. Studies have shown that this compound exhibits moderate anti-inflammatory and antioxidant properties, which could be harnessed for therapeutic purposes. However, further research is required to fully understand its pharmacokinetics and toxicity profile before it can be considered for clinical use.

In conclusion, 2-(3,5-Dimethylphenyl)pyridin-3-amine, with its CAS number 1368804-93-6, is a multifaceted compound with a wide range of potential applications across various scientific disciplines. Its unique structure and tunable properties make it a valuable tool for researchers seeking innovative solutions in chemistry and materials science.

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