Cas no 898768-85-9 (3',4'-Dimethyl-3-(4-methylphenyl)propiophenone)

3',4'-Dimethyl-3-(4-methylphenyl)propiophenone is a specialized organic compound featuring a propiophenone backbone with dimethyl and methylphenyl substituents. Its structural configuration imparts unique reactivity, making it valuable as an intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals and fine chemicals. The presence of methyl groups enhances steric and electronic properties, influencing selectivity in coupling and condensation reactions. This compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined molecular structure allows for precise modifications, enabling tailored applications in research and industrial synthesis. High purity grades ensure reproducibility in experimental and production processes.
3',4'-Dimethyl-3-(4-methylphenyl)propiophenone structure
898768-85-9 structure
Product Name:3',4'-Dimethyl-3-(4-methylphenyl)propiophenone
CAS No:898768-85-9
MF:C18H20O
MW:252.350805282593
MDL:MFCD07699622
CID:874814
PubChem ID:24725737
Update Time:2025-06-13

3',4'-Dimethyl-3-(4-methylphenyl)propiophenone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-one
    • 3',4'-DIMETHYL-3-(4-METHYLPHENYL)PROPIOPHENONE
    • MFCD07699622
    • AKOS016021593
    • DTXSID50644130
    • 898768-85-9
    • 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone
    • MDL: MFCD07699622
    • Inchi: 1S/C18H20O/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)15(3)12-17/h4-8,10,12H,9,11H2,1-3H3
    • InChI Key: RUEWQAINWRZRKM-UHFFFAOYSA-N
    • SMILES: O=C(C1=CC=C(C)C(C)=C1)CCC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 252.15100
  • Monoisotopic Mass: 252.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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: 4.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 4.42730

3',4'-Dimethyl-3-(4-methylphenyl)propiophenone Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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Additional information on 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone

Comprehensive Overview of 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone (CAS No. 898768-85-9)

3',4'-Dimethyl-3-(4-methylphenyl)propiophenone (CAS No. 898768-85-9) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical intermediates, material science, and fine chemical synthesis. This compound, characterized by its unique molecular structure, plays a pivotal role in advanced research and industrial applications. Its propiophenone backbone, combined with dimethyl and methylphenyl substituents, offers versatile reactivity, making it a valuable building block for synthesizing complex molecules.

In recent years, the demand for 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone has surged due to its potential applications in drug discovery and development. Researchers are particularly interested in its role as a precursor for bioactive molecules, including anti-inflammatory and antimicrobial agents. The compound's CAS No. 898768-85-9 is frequently searched in academic databases and patent filings, reflecting its growing relevance in cutting-edge science. Additionally, its stability and solubility properties make it a preferred choice for laboratory-scale and industrial-scale reactions.

One of the key trends driving interest in 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone is the rise of personalized medicine and targeted therapies. As scientists explore novel drug delivery systems, this compound's structural flexibility allows for modifications that enhance bioavailability and efficacy. Questions like "What are the synthetic routes for 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone?" or "How does CAS No. 898768-85-9 contribute to green chemistry?" are commonly encountered in search engines, highlighting its interdisciplinary appeal.

From a material science perspective, 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone is being investigated for its potential in polymer chemistry and optoelectronic materials. Its aromatic framework and functional groups enable it to act as a monomer or cross-linking agent, contributing to the development of high-performance polymers. The compound's thermal stability and electronic properties are also under scrutiny for applications in organic semiconductors and photovoltaic devices.

Environmental sustainability is another hot topic linked to CAS No. 898768-85-9. With increasing regulatory pressure on chemical manufacturing, researchers are exploring greener synthesis methods for this compound, such as catalytic hydrogenation or solvent-free reactions. Searches like "eco-friendly synthesis of 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone" reflect the industry's shift toward sustainable practices. This aligns with global initiatives to reduce carbon footprints and minimize hazardous waste in chemical production.

Quality control and analytical characterization of 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone are critical for ensuring its applicability in high-stakes industries. Techniques like HPLC, NMR, and mass spectrometry are routinely employed to verify purity and structural integrity. The compound's CAS No. 898768-85-9 is often referenced in technical datasheets and safety guidelines, underscoring the importance of standardized protocols in handling and storage.

In conclusion, 3',4'-Dimethyl-3-(4-methylphenyl)propiophenone (CAS No. 898768-85-9) represents a fascinating intersection of chemistry, pharmacology, and materials engineering. Its multifaceted applications, coupled with ongoing research into sustainable synthesis and novel functionalities, position it as a compound of enduring significance. As scientific inquiry advances, this molecule is likely to remain at the forefront of innovation, addressing both current challenges and future opportunities in the chemical sciences.

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