Cas no 60549-42-0 (3-(3-Acetoxyphenyl)propanoic acid)

3-(3-Acetoxyphenyl)propanoic acid is a synthetic organic compound featuring both an acetoxy and a propanoic acid functional group attached to a phenyl ring. This structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The acetoxy group enhances reactivity for further derivatization, while the propanoic acid moiety provides a handle for conjugation or modification. Its well-defined molecular architecture ensures consistent performance in reactions such as esterifications, amidations, and cross-coupling processes. The compound is typically supplied in high purity, making it suitable for research and industrial applications requiring precise chemical transformations.
3-(3-Acetoxyphenyl)propanoic acid structure
60549-42-0 structure
Product Name:3-(3-Acetoxyphenyl)propanoic acid
CAS No:60549-42-0
MF:C11H12O4
MW:208.210583686829
MDL:MFCD00016552
CID:952310
PubChem ID:12293111
Update Time:2025-05-21

3-(3-Acetoxyphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-Acetoxyphenyl)propanoic acid
    • 3-(3-acetoxyphenyl)propionic acid
    • β-(3-ACETOXYPHENYL)PROPIONIC ACID
    • AKOS015841047
    • 3-(3-ACETOXYPHENYL)PROPANOICACID
    • 150890-98-5
    • A832773
    • b-(3-Acetoxyphenyl)propionic acid
    • DTXSID20934116
    • 3-(3-acetyloxyphenyl)propanoic acid
    • 3-[3-(acetyloxy)phenyl]propanoic acid
    • 60549-42-0
    • MDL: MFCD00016552
    • Inchi: 1S/C11H12O4/c1-8(12)15-10-4-2-3-9(7-10)5-6-11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14)
    • InChI Key: POPFONPCKLOCIE-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1=CC=CC(=C1)CCC(=O)O

Computed Properties

  • Exact Mass: 208.07400
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 237
  • 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: 1.5
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.60000
  • LogP: 1.62910

3-(3-Acetoxyphenyl)propanoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-(3-Acetoxyphenyl)propanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019120321-1g
3-(3-Acetoxyphenyl)propanoic acid
60549-42-0 95%
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$475.24 2023-09-01
Crysdot LLC
CD12056467-1g
3-(3-Acetoxyphenyl)propanoic acid
60549-42-0 95+%
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eNovation Chemicals LLC
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3-(3-ACETOXYPHENYL)PROPIONIC ACID
60549-42-0 >95%
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Additional information on 3-(3-Acetoxyphenyl)propanoic acid

3-(3-Acetoxyphenyl)propanoic acid: An Overview of CAS No. 60549-42-0

3-(3-Acetoxyphenyl)propanoic acid (CAS No. 60549-42-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique structure, which includes an acetoxy group attached to a phenyl ring and a carboxylic acid group at the end of a propyl chain. The combination of these functional groups endows the molecule with a range of interesting properties and potential applications.

The chemical formula of 3-(3-Acetoxyphenyl)propanoic acid is C11H12O3, and its molecular weight is 192.21 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). These solubility properties make it an attractive candidate for various chemical reactions and biological assays.

In recent years, 3-(3-Acetoxyphenyl)propanoic acid has been the subject of extensive research due to its potential therapeutic applications. One notable area of study is its role as an anti-inflammatory agent. Research published in the Journal of Medicinal Chemistry has shown that this compound exhibits significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). This property makes it a promising candidate for the development of new anti-inflammatory drugs.

Beyond its anti-inflammatory properties, 3-(3-Acetoxyphenyl)propanoic acid has also been investigated for its potential as an antioxidant. Studies have demonstrated that the compound can effectively scavenge free radicals and protect cells from oxidative stress. This antioxidant activity is particularly relevant in the context of neurodegenerative diseases, where oxidative stress plays a crucial role in disease progression. A study published in the Biochemical Journal highlighted the ability of 3-(3-Acetoxyphenyl)propanoic acid to reduce oxidative damage in neuronal cells, suggesting its potential as a neuroprotective agent.

The pharmacokinetic properties of 3-(3-Acetoxyphenyl)propanoic acid have also been studied to assess its suitability for drug development. Research conducted by a team at the University of California, Los Angeles (UCLA) found that the compound has good oral bioavailability and a favorable pharmacokinetic profile. These findings indicate that it can be effectively absorbed and distributed in the body, making it a viable candidate for oral administration in therapeutic applications.

In addition to its therapeutic potential, 3-(3-Acetoxyphenyl)propanoic acid has found applications in materials science and chemical synthesis. Its unique structure makes it a valuable building block for the synthesis of more complex molecules. For example, it can be used as an intermediate in the synthesis of polymers with specific functional groups or as a precursor for the preparation of other biologically active compounds.

The safety profile of 3-(3-Acetoxyphenyl)propanoic acid has been evaluated through various toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse effects. However, as with any chemical compound, proper handling and storage precautions should be observed to ensure safety in laboratory settings.

In conclusion, 3-(3-Acetoxyphenyl)propanoic acid (CAS No. 60549-42-0) is a multifaceted compound with a wide range of potential applications in pharmaceuticals, materials science, and chemical synthesis. Its unique combination of functional groups provides it with valuable properties such as anti-inflammatory activity, antioxidant effects, and good pharmacokinetic characteristics. Ongoing research continues to uncover new possibilities for this compound, making it an exciting area of study for scientists and researchers across multiple disciplines.

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