Cas no 3440-46-8 (2-Methylquinazolin-4-amine)

2-Methylquinazolin-4-amine is a heterocyclic organic compound featuring a quinazoline core substituted with a methyl group at the 2-position and an amine group at the 4-position. This structure imparts notable reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its quinazoline scaffold is particularly useful for developing bioactive molecules, including kinase inhibitors and antimicrobial agents. The compound exhibits favorable stability and solubility properties, facilitating its incorporation into diverse synthetic pathways. Its well-defined chemical properties and versatility in functionalization make it a preferred choice for researchers exploring novel therapeutic and industrial applications. High-purity grades ensure consistent performance in experimental and production settings.
2-Methylquinazolin-4-amine structure
2-Methylquinazolin-4-amine structure
Product Name:2-Methylquinazolin-4-amine
CAS No:3440-46-8
MF:C9H9N3
MW:159.187861204147
MDL:MFCD00234541
CID:1026405
PubChem ID:12682939
Update Time:2025-10-30

2-Methylquinazolin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Methylquinazolin-4-amine
    • 2-Methylquizolin-4-amine
    • 2-Methyl-4-aminochinazoline
    • 2-METHYL-4-AMINOQUINAZOLINE
    • 2-methyl-4-quinazolinamine
    • 2-methyl-quinazolin-4-ylamine
    • 4-Amino-2-methylchinazolin
    • 4-AMINO-2-METHYLQUINAZOLINE
    • 4-Quinazolinamine,N-methyl
    • MFCD00234541
    • CS-0254048
    • 4-Quinazolinamine, 2-methyl-
    • AB05254
    • Z1198152669
    • DTXSID40506773
    • AKOS006272766
    • DB-356277
    • A874984
    • 4-Quinazolinamine,N-methyl-
    • SCHEMBL3340310
    • (2-methyl-quinazolin-4-yl)-amine
    • EN300-388275
    • 3440-46-8
    • MDL: MFCD00234541
    • Inchi: 1S/C9H9N3/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3,(H2,10,11,12)
    • InChI Key: TUFODHJZPSTPIT-UHFFFAOYSA-N
    • SMILES: N1C(C)=NC(=C2C=CC=CC=12)N

Computed Properties

  • Exact Mass: 159.08000
  • Monoisotopic Mass: 159.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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: 1.9
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 52.53000
  • LogP: 1.45050

2-Methylquinazolin-4-amine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-Methylquinazolin-4-amine Production Method

2-Methylquinazolin-4-amine Related Literature

Additional information on 2-Methylquinazolin-4-amine

Comprehensive Overview of 2-Methylquinazolin-4-amine (CAS No. 3440-46-8): Properties, Applications, and Research Insights

2-Methylquinazolin-4-amine (CAS No. 3440-46-8) is a heterocyclic organic compound belonging to the quinazoline family. This structurally unique molecule has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical properties and potential biological activities. The compound features a methyl group at the 2-position and an amine group at the 4-position of the quinazoline ring, which contribute to its distinct reactivity and interaction profiles.

In recent years, the demand for quinazoline derivatives like 2-Methylquinazolin-4-amine has surged, driven by their applications in drug discovery and material science. Researchers are particularly interested in its role as a building block for synthesizing more complex molecules with potential therapeutic benefits. The compound's molecular formula, C9H9N3, and molecular weight of 159.19 g/mol make it a manageable intermediate for various synthetic pathways.

One of the most searched questions about 2-Methylquinazolin-4-amine relates to its solubility and stability under different conditions. Studies indicate that this compound exhibits moderate solubility in polar organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), while being sparingly soluble in water. Its stability is generally high under standard laboratory conditions, though prolonged exposure to strong acids or bases should be avoided to prevent degradation.

The synthetic routes for 2-Methylquinazolin-4-amine often start from anthranilic acid derivatives or involve cyclization reactions of appropriately substituted precursors. Modern green chemistry approaches have focused on optimizing these synthetic methods to reduce waste and improve yields, aligning with the growing emphasis on sustainable chemistry in the pharmaceutical industry.

In pharmacological research, 2-Methylquinazolin-4-amine has shown promise as a scaffold for developing compounds with potential kinase inhibitory activity. This aligns with current trends in targeted cancer therapies, where quinazoline derivatives are being investigated for their ability to modulate specific signaling pathways. However, it's important to note that extensive clinical studies would be required before any therapeutic applications could be realized.

From a spectroscopic perspective, 2-Methylquinazolin-4-amine exhibits characteristic peaks in NMR and mass spectrometry that aid in its identification and purity assessment. The compound's UV-Vis spectrum typically shows absorption maxima around 260-280 nm, which is valuable for analytical method development and quality control in manufacturing processes.

The material science community has also explored 2-Methylquinazolin-4-amine for its potential in creating novel organic electronic materials. Its conjugated ring system and ability to form hydrogen bonds make it an interesting candidate for developing organic semiconductors or luminescent materials, though this application area remains largely exploratory at present.

Safety considerations for handling 2-Methylquinazolin-4-amine are frequently searched topics. While not classified as highly hazardous, standard laboratory precautions should be observed, including the use of personal protective equipment and proper ventilation. The compound's Material Safety Data Sheet (MSDS) provides detailed handling instructions that should be consulted before working with this chemical.

Recent advancements in computational chemistry have enabled more efficient studies of 2-Methylquinazolin-4-amine derivatives. Molecular docking simulations and quantitative structure-activity relationship (QSAR) studies are helping researchers predict biological activities and optimize molecular structures before synthesis, accelerating the drug discovery process.

The global market for quinazoline compounds including 2-Methylquinazolin-4-amine is projected to grow steadily, driven by increasing R&D investments in pharmaceutical and agricultural chemistry. Suppliers typically offer this compound in various purity grades (95%, 98%, etc.) to meet different research needs, with prices varying based on quantity and purity specifications.

Analytical methods for 2-Methylquinazolin-4-amine quantification continue to evolve, with HPLC and LC-MS being the most commonly employed techniques. Method validation parameters such as linearity, precision, and accuracy are crucial for ensuring reliable results in both research and quality control settings.

Environmental fate studies of 2-Methylquinazolin-4-amine suggest that it undergoes moderate biodegradation under appropriate conditions. However, as with all research chemicals, proper disposal methods should be followed to minimize environmental impact, in compliance with local regulations.

Future research directions for 2-Methylquinazolin-4-amine may explore its potential in combinatorial chemistry libraries or as a ligand in coordination chemistry. The compound's versatility ensures it will remain an important tool for chemists exploring structure-activity relationships in heterocyclic systems.

For researchers sourcing 2-Methylquinazolin-4-amine, verifying supplier credentials and requesting certificates of analysis are essential steps to ensure material quality. Many laboratories also perform in-house characterization using spectroscopic methods to confirm compound identity and purity before use in sensitive applications.

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