Cas no 898790-51-7 (3'-Carboethoxy-3-(3-methylphenyl)propiophenone)

3'-Carboethoxy-3-(3-methylphenyl)propiophenone is a specialized organic compound featuring a propiophenone backbone substituted with a 3-methylphenyl group and a carboethoxy moiety at the 3' position. This structure imparts unique reactivity, making it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both aromatic and ester functional groups enhances its versatility in reactions such as condensations, reductions, and cross-coupling processes. Its well-defined molecular architecture ensures consistent performance in multi-step syntheses, while the ethyl ester group offers additional flexibility for further derivatization. Suitable for research and industrial applications requiring precise molecular control.
3'-Carboethoxy-3-(3-methylphenyl)propiophenone structure
898790-51-7 structure
Product Name:3'-Carboethoxy-3-(3-methylphenyl)propiophenone
CAS No:898790-51-7
MF:C19H20O3
MW:296.360305786133
CID:874873
PubChem ID:24725672
Update Time:2025-10-29

3'-Carboethoxy-3-(3-methylphenyl)propiophenone Chemical and Physical Properties

Names and Identifiers

    • 3'-Carboethoxy-3-(3-methylphenyl)propiophenone
    • ethyl 3-[3-(3-methylphenyl)propanoyl]benzoate
    • AKOS016021042
    • MFCD07699571
    • 898790-51-7
    • DTXSID60644065
    • MDL: MFCD07699571
    • Inchi: 1S/C19H20O3/c1-3-22-19(21)17-9-5-8-16(13-17)18(20)11-10-15-7-4-6-14(2)12-15/h4-9,12-13H,3,10-11H2,1-2H3
    • InChI Key: HTEBPGOMNASESW-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C(=O)OCC)C=1)CCC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 296.14100
  • Monoisotopic Mass: 296.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 377
  • 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: 4.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 3.98720

3'-Carboethoxy-3-(3-methylphenyl)propiophenone Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Additional information on 3'-Carboethoxy-3-(3-methylphenyl)propiophenone

Comprehensive Guide to 3'-Carboethoxy-3-(3-methylphenyl)propiophenone (CAS No. 898790-51-7): Properties, Applications, and Market Insights

3'-Carboethoxy-3-(3-methylphenyl)propiophenone (CAS No. 898790-51-7) is a specialized organic compound widely recognized in pharmaceutical and chemical research. This compound, often referred to as a propiophenone derivative, plays a crucial role in synthetic chemistry due to its unique structural features. With a molecular formula of C19H20O3, it combines a carboethoxy group and a 3-methylphenyl moiety, making it valuable for designing intermediates in drug discovery and material science.

The growing interest in 3'-Carboethoxy-3-(3-methylphenyl)propiophenone is driven by its versatility in organic synthesis. Researchers frequently explore its potential as a building block for bioactive molecules, particularly in developing anti-inflammatory and antimicrobial agents. Recent studies highlight its relevance in green chemistry, aligning with the global push for sustainable and eco-friendly synthetic methods. This compound’s stability and reactivity make it a preferred choice for high-yield reactions under mild conditions.

In the pharmaceutical industry, 3'-Carboethoxy-3-(3-methylphenyl)propiophenone is often utilized as a key intermediate for synthesizing complex molecules. Its structural flexibility allows modifications that enhance drug efficacy and reduce side effects. For instance, it has been investigated in the development of CNS-targeting drugs, addressing rising demand for treatments related to neurological disorders. Additionally, its role in catalysis and polymer chemistry underscores its cross-industry applicability.

Market trends indicate increasing demand for CAS No. 898790-51-7, particularly in regions with robust pharmaceutical R&D sectors. Companies specializing in custom synthesis and fine chemicals are scaling up production to meet this demand. Analysts attribute this growth to the compound’s compatibility with automated synthesis platforms, a hot topic in modern drug development. Furthermore, its use in high-throughput screening aligns with the industry’s shift toward AI-driven discovery.

From a regulatory perspective, 3'-Carboethoxy-3-(3-methylphenyl)propiophenone is compliant with major chemical safety guidelines, ensuring its accessibility for research and industrial use. Its non-hazardous classification under standard protocols facilitates global trade. Researchers frequently inquire about its storage conditions and handling protocols, emphasizing the need for detailed technical documentation—a common SEO query addressed by suppliers.

Innovations in crystallization techniques have improved the purity of CAS No. 898790-51-7, a critical factor for reproducibility in experiments. This advancement responds to the scientific community’s focus on reproducible research, a trending topic in peer-reviewed journals. Suppliers now highlight batch-to-batch consistency in product listings, catering to quality-conscious buyers.

Looking ahead, the application of 3'-Carboethoxy-3-(3-methylphenyl)propiophenone in photopharmacology—a field combining light-sensitive compounds with drug delivery—shows promise. This aligns with searches for “next-gen drug activation methods,” reflecting its relevance in cutting-edge research. Collaborative studies between academia and industry continue to expand its utility, ensuring its position as a future-proof chemical asset.

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