Cas no 18102-21-1 (2, 3, 6-Trimethylaniline)

2, 3, 6-Trimethylaniline structure
2, 3, 6-Trimethylaniline structure
Product Name:2, 3, 6-Trimethylaniline
CAS No:18102-21-1
MF:C9H13N
MW:135.206222295761
CID:2167712
PubChem ID:11958947
Update Time:2025-07-23

2, 3, 6-Trimethylaniline Chemical and Physical Properties

Names and Identifiers

    • 2, 3, 6-Trimethylaniline
    • 2,3,6-trimethyl-aniline
    • 2,3,6-Trimethylaniline
    • 2.3.6-Trimethylanilin
    • DB-239451
    • Benzenamine, 2,3,6-trimethyl-
    • CS-0159889
    • AKOS006342842
    • FHMPFSKGDPKPDJ-UHFFFAOYSA-N
    • 18102-21-1
    • DTXSID30474750
    • BS-45545
    • SCHEMBL394750
    • DTXCID70425564
    • MFCD09965929
    • Inchi: 1S/C9H13N/c1-6-4-5-7(2)9(10)8(6)3/h4-5H,10H2,1-3H3
    • InChI Key: FHMPFSKGDPKPDJ-UHFFFAOYSA-N
    • SMILES: NC1=C(C)C=CC(C)=C1C

Computed Properties

  • Exact Mass: 135.104799419g/mol
  • Monoisotopic Mass: 135.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 111
  • 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: 2.3
  • Topological Polar Surface Area: 26?2

2, 3, 6-Trimethylaniline Pricemore >>

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2, 3, 6-Trimethylaniline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:18102-21-1)2, 3, 6-Trimethylaniline
Order Number:A928969
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:56
Price ($):435.0

Additional information on 2, 3, 6-Trimethylaniline

Introduction to 2, 3, 6-Trimethylaniline (CAS No. 18102-21-1)

2, 3, 6-Trimethylaniline, with the chemical formula C?H??N and CAS number 18102-21-1, is a significant organic compound widely utilized in the field of pharmaceuticals, agrochemicals, and specialty chemicals. This aromatic amine derivative is characterized by its three methyl substituents positioned at the 2nd, 3rd, and 6th carbon atoms of the benzene ring. Its unique structural properties make it a valuable intermediate in synthetic chemistry, enabling the development of various bioactive molecules.

The synthesis and applications of 2, 3, 6-Trimethylaniline have been extensively studied due to its versatility in medicinal chemistry. Recent advancements in catalytic processes have improved the efficiency of its production, making it more accessible for industrial-scale applications. For instance, palladium-catalyzed cross-coupling reactions have been employed to introduce functional groups with high selectivity and yield, facilitating the construction of more complex molecular architectures.

In the realm of pharmaceutical research, 2, 3, 6-Trimethylaniline serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs). Its structural motif is frequently incorporated into drug candidates targeting neurological disorders, infectious diseases, and metabolic conditions. Notably, derivatives of this compound have shown promise in modulating enzyme activity and receptor binding interactions. For example, recent studies have highlighted its role in developing novel antiviral agents by serving as a scaffold for designing molecules that interfere with viral replication mechanisms.

The chemical reactivity of 2, 3, 6-Trimethylaniline is another area of active investigation. Its methylation pattern enhances its ability to participate in nucleophilic substitution reactions, making it a valuable building block for heterocyclic compounds. Researchers have leveraged this property to create libraries of substituted anilines for high-throughput screening (HTS) campaigns. Such efforts have led to the identification of lead compounds with potential therapeutic applications in oncology and anti-inflammatory therapies.

From an industrial perspective, the demand for 2, 3, 6-Trimethylaniline has grown alongside advancements in agrochemical formulations. Its derivatives are employed as intermediates in the production of herbicides and pesticides that exhibit improved environmental compatibility and efficacy. For instance, modifications to its aromatic ring have resulted in compounds that demonstrate enhanced selectivity toward specific biological targets while minimizing off-target effects.

The analytical characterization of CAS No. 18102-21-1 is also critical for ensuring its quality and purity in commercial applications. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are routinely employed to confirm its molecular structure and assess impurity profiles. These analytical methods are essential for meeting regulatory standards and ensuring consistency across different batches.

In conclusion, 2, 3, 6-Trimethylaniline represents a cornerstone compound in modern chemical synthesis. Its broad utility spans multiple industries, driven by its unique structural features and reactivity profile. As research continues to uncover new applications for this molecule and its derivatives, its importance in advancing scientific discovery is likely to grow further. The ongoing development of innovative synthetic strategies will continue to enhance its accessibility and expand its potential uses in pharmaceuticals and beyond.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:18102-21-1)2, 3, 6-Trimethylaniline
A928969
Purity:99%
Quantity:1g
Price ($):435.0
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