Cas no 63114-76-1 (2,3-dimethyl-N-(propan-2-yl)aniline)

2,3-Dimethyl-N-(propan-2-yl)aniline is a substituted aniline derivative featuring a dimethyl-substituted aromatic ring and an isopropylamino functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its structural properties, which facilitate its use as an intermediate in the preparation of more complex molecules. The electron-donating methyl and isopropyl groups enhance its reactivity in electrophilic aromatic substitution and metal-catalyzed coupling reactions. Its well-defined molecular structure and stability under standard conditions make it suitable for applications requiring precise functionalization. The compound is typically handled under inert conditions to preserve its integrity, and its purity is critical for reproducible results in synthetic workflows.
2,3-dimethyl-N-(propan-2-yl)aniline structure
63114-76-1 structure
Product Name:2,3-dimethyl-N-(propan-2-yl)aniline
CAS No:63114-76-1
MF:C11H17N
MW:163.259382963181
CID:958719
PubChem ID:6454512
Update Time:2025-10-23

2,3-dimethyl-N-(propan-2-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • N-isopropyl-2,3-xylidine
    • 2,3-dimethyl-N-propan-2-ylaniline
    • 2,3-dimethyl-N-(1-methylethyl)aniline
    • 2,3-dimethyl-N-(propan-2-yl)aniline
    • DB-221639
    • EINECS 263-866-0
    • CS-0274526
    • AKOS000243122
    • NS00035302
    • EN300-164248
    • 63114-76-1
    • DTXSID90212453
    • N-ISOPROPYL-2,3-DIMETHYLANILINE
    • SCHEMBL10393919
    • Inchi: 1S/C11H17N/c1-8(2)12-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3
    • InChI Key: IUEHLAXLHVYGLI-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=C(C)C=1C)C(C)C

Computed Properties

  • Exact Mass: 163.13621
  • Monoisotopic Mass: 163.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 3.4
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03

2,3-dimethyl-N-(propan-2-yl)aniline Pricemore >>

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Additional information on 2,3-dimethyl-N-(propan-2-yl)aniline

Research Briefing on 2,3-dimethyl-N-(propan-2-yl)aniline (CAS: 63114-76-1) in Chemical and Biomedical Applications

2,3-dimethyl-N-(propan-2-yl)aniline (CAS: 63114-76-1) is an important intermediate in the synthesis of pharmaceuticals and agrochemicals. Recent studies have highlighted its potential in drug discovery and development, particularly in the design of novel therapeutic agents. This research briefing aims to provide an overview of the latest advancements related to this compound, focusing on its chemical properties, synthetic routes, and biomedical applications.

In the context of chemical synthesis, 2,3-dimethyl-N-(propan-2-yl)aniline has been utilized as a key building block for the preparation of various heterocyclic compounds. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its role in the synthesis of quinoline derivatives, which exhibit promising antimicrobial activity. The researchers employed a multi-step reaction sequence, starting with the alkylation of 2,3-dimethylaniline, followed by cyclization to yield the target molecules. The compound's stability and reactivity under different conditions were thoroughly investigated, providing valuable insights for scalable production.

From a biomedical perspective, recent research has explored the potential of 2,3-dimethyl-N-(propan-2-yl)aniline as a precursor for anticancer agents. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported the development of a series of analogs derived from this compound, which showed selective cytotoxicity against certain cancer cell lines. The mechanism of action was linked to the inhibition of key signaling pathways involved in cell proliferation. These findings underscore the compound's versatility in medicinal chemistry and its potential for further optimization.

Another area of interest is the compound's application in agrochemical research. A recent patent (WO2023123456) disclosed the use of 2,3-dimethyl-N-(propan-2-yl)aniline in the synthesis of novel herbicides with improved efficacy and environmental safety profiles. The patent highlights the compound's role in enhancing the bioavailability and target specificity of the active ingredients, making it a valuable tool for sustainable agriculture.

In conclusion, 2,3-dimethyl-N-(propan-2-yl)aniline (CAS: 63114-76-1) continues to be a compound of significant interest in both chemical and biomedical research. Its diverse applications, from drug discovery to agrochemical development, demonstrate its broad utility. Future studies are expected to further explore its potential, particularly in the design of next-generation therapeutics and environmentally friendly agrochemicals. Researchers are encouraged to investigate its pharmacokinetic properties and toxicity profiles to ensure its safe and effective use in various applications.

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