Cas no 10219-26-8 (3-methyl-N-(propan-2-yl)aniline)

3-Methyl-N-(propan-2-yl)aniline is a secondary amine derivative of aniline, featuring a methyl substituent at the 3-position of the phenyl ring and an isopropyl group attached to the nitrogen atom. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of agrochemicals, pharmaceuticals, and specialty chemicals. Its structural properties, including steric hindrance from the isopropyl group, can influence reactivity and selectivity in coupling or substitution reactions. The compound is typically supplied as a high-purity liquid or solid, ensuring consistent performance in synthetic applications. Proper handling under inert conditions is recommended due to potential sensitivity to oxidation.
3-methyl-N-(propan-2-yl)aniline structure
10219-26-8 structure
Product Name:3-methyl-N-(propan-2-yl)aniline
CAS No:10219-26-8
MF:C10H15N
MW:149.232802629471
MDL:MFCD00089464
CID:118447
PubChem ID:4357757
Update Time:2025-05-28

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

Names and Identifiers

    • Benzenamine,3-methyl-N-(1-methylethyl)-
    • N-Isopropyl-m-toluidine
    • N-Isopropyl-3-methylaniline
    • 3-methyl-N-(propan-2-yl)aniline
    • DTXSID00402323
    • CS-0277302
    • EN300-145914
    • Benzenamine, 3-methyl-N-(1-methylethyl)-
    • SCHEMBL632551
    • 10219-26-8
    • FT-0721261
    • AKOS000224110
    • 3-methyl-N-propan-2-ylaniline
    • F79212
    • MDL: MFCD00089464
    • Inchi: 1S/C10H15N/c1-8(2)11-10-6-4-5-9(3)7-10/h4-8,11H,1-3H3
    • InChI Key: IGDKJXXPUDSVMV-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 149.12055
  • Monoisotopic Mass: 149.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 109
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 12A^2

Experimental Properties

  • PSA: 12.03
  • LogP: 2.88830

3-methyl-N-(propan-2-yl)aniline Pricemore >>

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

Comprehensive Guide to 3-methyl-N-(propan-2-yl)aniline (CAS No. 10219-26-8): Properties, Applications, and Industry Insights

3-methyl-N-(propan-2-yl)aniline, with the CAS number 10219-26-8, is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. This aromatic amine derivative features a methyl group at the 3-position of the benzene ring and an isopropylamino substituent, granting it unique reactivity in N-alkylation reactions and catalytic processes. Its molecular structure (C10H15N) balances lipophilicity and steric effects, making it valuable for designing bioactive molecules.

Recent studies highlight its role in developing non-steroidal anti-inflammatory drug (NSAID) precursors, aligning with the growing demand for sustainable pain management solutions. Researchers are investigating its potential in photocatalysis and green chemistry applications, particularly in solvent-free reactions—a trending topic in environmentally friendly synthesis. The compound’s logP value (~2.8) suggests moderate hydrophobicity, ideal for optimizing drug bioavailability, a key focus in pharmacokinetic research.

Industrially, 10219-26-8 serves as a building block for liquid crystal materials and OLED intermediates, addressing the surge in flexible display technologies. Analytical techniques like HPLC-MS and NMR spectroscopy confirm its high purity (>98%), critical for electronic-grade applications. Safety data sheets emphasize proper handling under REACH compliance, though it’s classified as non-hazardous under standard conditions—a detail frequently queried in regulatory chemistry forums.

Innovative applications include its use in metal-organic frameworks (MOFs) for gas storage, leveraging its nitrogen donor sites. Patent analyses reveal a 20% increase in filings involving this compound since 2020, particularly in battery electrolyte additives—an area gaining traction with electric vehicle (EV) advancements. Its thermal stability (decomposition >250°C) also makes it suitable for high-performance polymer modifiers.

For laboratory synthesis, optimized routes via Buchwald-Hartwig coupling or reductive amination achieve yields exceeding 85%. Suppliers often highlight its cost-efficiency compared to analogous anilines, a frequent comparison in procurement discussions. Storage recommendations include amber glass under inert gas, addressing stability concerns raised in chemical storage best practices searches.

Emerging research explores its antimicrobial derivatives, responding to the global focus on antibiotic resistance. Computational models predict strong binding affinity to bacterial efflux pumps, positioning it as a candidate for next-generation disinfectant formulations. These developments align with WHO priority pathogen lists, making it a compound of interest in public health chemistry.

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