Cas no 2881-31-4 (2-(2-Oxo-2-phenylethyl)benzoicacid)

2-(2-Oxo-2-phenylethyl)benzoic acid is a versatile organic compound featuring a benzoic acid backbone substituted with a 2-oxo-2-phenylethyl group at the 2-position. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and fine chemical synthesis. The ketone and carboxylic acid functional groups offer multiple sites for further derivatization, enabling applications in heterocycle formation, ligand design, and polymer chemistry. Its crystalline nature ensures high purity and stability under standard storage conditions. The compound's balanced polarity enhances solubility in common organic solvents, facilitating its use in reactions such as acylations, condensations, and cyclizations. Its well-defined structure supports reproducible synthetic outcomes in research and industrial settings.
2-(2-Oxo-2-phenylethyl)benzoicacid structure
2881-31-4 structure
Product Name:2-(2-Oxo-2-phenylethyl)benzoicacid
CAS No:2881-31-4
MF:C15H12O3
MW:240.253984451294
MDL:MFCD01679622
CID:261282
Update Time:2025-10-31

2-(2-Oxo-2-phenylethyl)benzoicacid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(2-oxo-2-phenylethyl)-
    • 2-(2-Oxo-2-phenylethyl)benzoic acid
    • 2-phenacylbenzoic acid
    • 2-(1-PIPERIDINYL)-6-(3-METHOXYBENZYLAMINO)-9-ISOPROPYLPURINE
    • 2-(Benzoylmethyl)benzoic acid
    • Benzoic acid,2-(2-oxo-2-phenylethyl)
    • Desoxybenzoin-carbonsaeure-(2')
    • F 1212
    • o-Phenacylbenzoic acid
    • ortho-phenacylbenzoic acid
    • 2-(2-Oxo-2-phenylethyl)benzoicacid
    • MDL: MFCD01679622
    • Inchi: 1S/C15H12O3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2,(H,17,18)
    • InChI Key: MLCPCDOOBNXTFB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)CC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 240.07900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 54.37000
  • LogP: 2.81020

2-(2-Oxo-2-phenylethyl)benzoicacid 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%

2-(2-Oxo-2-phenylethyl)benzoicacid Pricemore >>

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Additional information on 2-(2-Oxo-2-phenylethyl)benzoicacid

Comprehensive Overview of 2-(2-Oxo-2-phenylethyl)benzoic acid (CAS No. 2881-31-4): Properties, Applications, and Industry Insights

2-(2-Oxo-2-phenylethyl)benzoic acid (CAS No. 2881-31-4) is a specialized organic compound with a unique molecular structure combining a benzoic acid backbone and a phenylethyl ketone moiety. This keto-acid derivative has garnered significant attention in pharmaceutical and fine chemical research due to its versatile reactivity and potential as a synthetic intermediate. The compound's dual functional groups (carboxylic acid and ketone) enable diverse chemical transformations, making it valuable for constructing complex molecular architectures.

Recent studies highlight the growing demand for 2-(2-Oxo-2-phenylethyl)benzoic acid in drug discovery, particularly in developing non-steroidal anti-inflammatory drug (NSAID) analogs. Researchers are exploring its structure-activity relationships to optimize biological efficacy while minimizing side effects – a hot topic in precision medicine development. The compound's aromatic ketone component also shows promise in photodynamic therapy research, aligning with current trends in cancer treatment innovations.

From a synthetic chemistry perspective, 2881-31-4 serves as a crucial building block for heterocyclic compounds, with applications ranging from agrochemicals to material science. Its benzoic acid derivative nature allows for easy derivatization, meeting the pharmaceutical industry's need for scalable synthetic routes. Analytical data shows increasing patent filings involving this compound, particularly in biodegradable polymer formulations and controlled-release drug delivery systems.

The compound's physicochemical properties – including its moderate solubility in polar organic solvents and crystalline solid state at room temperature – make it suitable for green chemistry applications. This aligns with the global push toward sustainable synthesis methods, as evidenced by its use in catalyst-free reactions and atom-economical processes. Industry reports indicate growing adoption in flow chemistry systems, addressing the need for continuous manufacturing in modern pharmaceutical production.

Quality control of 2-(2-Oxo-2-phenylethyl)benzoic acid requires rigorous HPLC analysis and spectroscopic characterization (FT-IR, NMR, MS), topics frequently searched by analytical chemists. The compound's chromatographic behavior and spectral fingerprints have been extensively documented to ensure batch-to-batch consistency – a critical factor for GMP compliance in pharmaceutical manufacturing. Recent advancements in process analytical technology (PAT) have further improved its production monitoring.

In material science, researchers are investigating the compound's potential in organic electronics, particularly as a precursor for electron-transport materials in OLED devices. This application capitalizes on its conjugated π-system and ability to form stable metal-organic complexes. Such developments respond to the booming demand for flexible displays and energy-efficient lighting solutions in the consumer electronics market.

The safety profile of CAS 2881-31-4 has been thoroughly evaluated for industrial handling, with comprehensive SDS documentation available. Proper laboratory practices including ventilation and PPE are recommended during handling – information frequently sought by EHS professionals. The compound's environmental fate and biodegradation pathways have also been studied to address regulatory compliance requirements in various jurisdictions.

Market analysis reveals steady growth in the fine chemicals sector for this compound, driven by expanding applications in cosmetic ingredients and specialty additives. Its UV-absorbing properties make it particularly valuable for sunscreen formulations, coinciding with increased consumer awareness of skin protection. Manufacturers are responding with improved crystallization techniques to enhance purity for cosmetic-grade material.

Future research directions for 2-(2-Oxo-2-phenylethyl)benzoic acid include exploration of its enantioselective synthesis and development of chiral derivatives – topics generating substantial academic interest. The compound's potential in asymmetric catalysis and as a ligand precursor continues to inspire innovative applications across chemical industries, positioning it as a molecule of enduring scientific and commercial significance.

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