Cas no 3951-10-8 (4-Methoxyphenylacetic Anhydride)

4-Methoxyphenylacetic Anhydride is a reactive organic compound commonly used as an intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its anhydride functionality allows for efficient acylation reactions, making it valuable for introducing the 4-methoxyphenylacetyl moiety into target molecules. The compound exhibits good stability under controlled conditions and offers high reactivity in esterification and amidation processes. Its structural features enable selective modifications in complex syntheses, contributing to its utility in fine chemical production. Proper handling under inert atmospheres is recommended due to its sensitivity to moisture.
4-Methoxyphenylacetic Anhydride structure
3951-10-8 structure
Product Name:4-Methoxyphenylacetic Anhydride
CAS No:3951-10-8
MF:C18H18O5
MW:314.332525730133
MDL:MFCD29050221
CID:821860
PubChem ID:87572948
Update Time:2025-05-24

4-Methoxyphenylacetic Anhydride Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxyphenylacetic anhydride
    • [2-(4-methoxyphenyl)acetyl] 2-(4-methoxyphenyl)acetate
    • 2-(4-Methoxyphenyl)acetic anhydride
    • (4-Methoxyphenyl)acetic anhydride
    • KYCAEIXHUXBNTQ-UHFFFAOYSA-N
    • Bis(p-methoxyphenylacetic)anhydride
    • 4-methoxyphenyl acetic acid anhydride
    • M0968
    • CS-0452092
    • DB-229182
    • D91416
    • DTXSID30555634
    • 3951-10-8
    • SCHEMBL3231393
    • MFCD29050221
    • 2-(4-methoxyphenyl)acetyl 2-(4-methoxyphenyl)acetate
    • 4-Methoxyphenylacetic Anhydride
    • MDL: MFCD29050221
    • Inchi: 1S/C18H18O5/c1-21-15-7-3-13(4-8-15)11-17(19)23-18(20)12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
    • InChI Key: KYCAEIXHUXBNTQ-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC(=CC=1)OC)=O)C(CC1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 314.11500
  • Monoisotopic Mass: 314.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 343
  • 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
  • Topological Polar Surface Area: 61.8
  • XLogP3: 3

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 75.0 to 78.0 deg-C
  • Boiling Point: 460.3±40.0 °C at 760 mmHg
  • Flash Point: 203.0±27.4 °C
  • Refractive Index: 1.553
  • PSA: 61.83000
  • LogP: 2.55880
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

4-Methoxyphenylacetic Anhydride Security Information

4-Methoxyphenylacetic Anhydride 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%

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Additional information on 4-Methoxyphenylacetic Anhydride

Introduction to 4-Methoxyphenylacetic Anhydride (CAS No. 3951-10-8)

4-Methoxyphenylacetic Anhydride, with the chemical formula C9H8O3 and CAS number 3951-10-8, is a versatile intermediate in organic synthesis and pharmaceutical chemistry. This compound, also known as methyl 4-methoxybenzoate anhydride, is widely recognized for its utility in the synthesis of various bioactive molecules, including pharmaceuticals and agrochemicals. Its unique structural properties make it a valuable tool in the development of novel compounds with potential therapeutic applications.

The structure of 4-Methoxyphenylacetic Anhydride features a phenyl ring substituted with a methoxy group at the para position and an acetic anhydride moiety. This configuration allows for facile functionalization at multiple sites, making it a preferred building block in medicinal chemistry. The compound's stability under various reaction conditions further enhances its appeal as an intermediate in synthetic pathways.

In recent years, there has been growing interest in the applications of 4-Methoxyphenylacetic Anhydride in the development of innovative drug candidates. Its role as a precursor in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents has been extensively studied. Researchers have leveraged its reactivity to introduce diverse functional groups, enabling the creation of structurally diverse libraries for drug discovery.

One of the most significant contributions of 4-Methoxyphenylacetic Anhydride is its application in the synthesis of pharmaceutical intermediates. For instance, it has been utilized in the preparation of compounds targeting neurological disorders, where its structural motif contributes to enhanced binding affinity and improved pharmacokinetic profiles. The compound's ability to undergo selective reactions with nucleophiles has made it indispensable in constructing complex molecular architectures.

The synthetic utility of 4-Methoxyphenylacetic Anhydride extends beyond pharmaceuticals into agrochemical research. Its derivatives have been explored as potential herbicides and fungicides, demonstrating efficacy against various plant pathogens. The methoxy group at the phenyl ring enhances lipophilicity, improving membrane permeability and bioavailability, which are critical factors for agrochemical performance.

Recent advancements in green chemistry have also highlighted the importance of 4-Methoxyphenylacetic Anhydride as a sustainable intermediate. Researchers have developed catalytic methods to minimize waste and improve yields during its synthesis, aligning with global efforts to reduce environmental impact. These innovations underscore the compound's adaptability to evolving chemical methodologies.

The pharmacological potential of derivatives derived from 4-Methoxyphenylacetic Anhydride continues to be a subject of intense investigation. Studies have shown that modifications at the acetic anhydride moiety can significantly alter biological activity, leading to the discovery of novel therapeutic agents. For example, analogs with enhanced metabolic stability have been identified as promising candidates for treating chronic inflammatory diseases.

In conclusion, 4-Methoxyphenylacetic Anhydride (CAS No. 3951-10-8) represents a cornerstone in modern synthetic chemistry and drug development. Its versatility as an intermediate has enabled breakthroughs across multiple disciplines, from pharmaceuticals to agrochemicals. As research progresses, continued exploration of its derivatives promises to yield further innovations with profound implications for human health and agricultural productivity.

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