Cas no 111714-47-7 (Methyl 3-acetyl-4-aminobenzoate)

Methyl 3-acetyl-4-aminobenzoate is a versatile organic compound featuring both acetyl and amino functional groups on a benzoate ester framework. This structure imparts reactivity suitable for pharmaceutical intermediates, agrochemical synthesis, and specialty chemical applications. The acetyl group enhances electrophilic properties, while the amino group allows for further derivatization, making it valuable in multi-step synthetic routes. Its ester moiety provides stability and solubility in organic solvents, facilitating purification and handling. The compound’s well-defined reactivity profile supports precise modifications, particularly in heterocycle formation or amide coupling reactions. High purity grades ensure consistent performance in research and industrial processes. Storage under inert conditions is recommended to preserve stability.
Methyl 3-acetyl-4-aminobenzoate structure
111714-47-7 structure
Product Name:Methyl 3-acetyl-4-aminobenzoate
CAS No:111714-47-7
MF:C10H11NO3
MW:193.199242830276
MDL:MFCD11656627
CID:137463
PubChem ID:10856336
Update Time:2025-10-22

Methyl 3-acetyl-4-aminobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-acetyl-4-aminobenzoate
    • Benzoic acid, 3-acetyl-4-amino-, methyl ester
    • 3-acetyl-4-aminobenzoic acid methyl ester
    • methyl 4-azanyl-3-ethanoyl-benzoate
    • methyl 4-amino-3-acetylbenzoate
    • Benzoic acid, 3-acetyl-4-amino-, methyl ester (9CI)
    • 3-Acetyl-4-aMinobenzoicacid Methyl ester
    • PubChem19686
    • UWOWQJXAUBYDTF-UHFFFAOYSA-N
    • 2095AA
    • EN001354
    • AB1010208
    • 3-Acetyl-4-amino-benzoic acid methyl ester
    • A802401
    • CS-W022817
    • SCHEMBL1680679
    • DTXSID70446037
    • CL9447
    • SY114270
    • Methyl 3-acetyl-4-amino-benzoate
    • 111714-47-7
    • AKOS015891141
    • DS-18600
    • EN300-222862
    • MFCD11656627
    • methyl3-acetyl-4-aminobenzoate
    • MDL: MFCD11656627
    • Inchi: 1S/C10H11NO3/c1-6(12)8-5-7(10(13)14-2)3-4-9(8)11/h3-5H,11H2,1-2H3
    • InChI Key: UWOWQJXAUBYDTF-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(=C(C(C)=O)C=1)N)=O

Computed Properties

  • Exact Mass: 193.07400
  • Monoisotopic Mass: 193.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 240
  • 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: 69.4
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.199
  • Boiling Point: 372.304°C at 760 mmHg
  • Flash Point: 201.631°C
  • Refractive Index: 1.562
  • PSA: 69.39000
  • LogP: 1.83920

Methyl 3-acetyl-4-aminobenzoate Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Additional information on Methyl 3-acetyl-4-aminobenzoate

Comprehensive Overview of Methyl 3-acetyl-4-aminobenzoate (CAS No. 111714-47-7): Properties, Applications, and Industry Insights

Methyl 3-acetyl-4-aminobenzoate (CAS No. 111714-47-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural features. This ester derivative, combining acetyl and amino functional groups, serves as a versatile intermediate in synthetic chemistry. Its molecular formula, C10H11NO3, and precise chemical structure make it invaluable for designing bioactive molecules. Researchers frequently explore its role in drug discovery, particularly for optimizing pharmacokinetic properties like solubility and bioavailability.

The compound’s synthesis pathway typically involves the esterification of 3-acetyl-4-aminobenzoic acid, followed by purification to achieve high yields. Analytical techniques such as HPLC and NMR spectroscopy are employed to verify its purity, which is critical for applications in pharmaceutical intermediates. Recent studies highlight its potential in developing targeted therapies, aligning with the growing demand for precision medicine. As sustainability gains traction, greener synthesis methods for Methyl 3-acetyl-4-aminobenzoate are also being investigated.

In the context of industry trends, this compound aligns with searches for "high-value chemical intermediates" and "custom synthesis solutions." Its relevance extends to cosmetic formulations, where mild yet effective ingredients are sought. Notably, its stability under varying pH conditions makes it a candidate for formulation optimization—a hot topic in R&D circles. Regulatory compliance, such as REACH and FDA guidelines, further underscores its safe handling protocols.

From an SEO perspective, queries like "buy Methyl 3-acetyl-4-aminobenzoate" or "CAS 111714-47-7 suppliers" reflect commercial interest. To address this, manufacturers emphasize batch-to-batch consistency and technical support, key concerns for bulk purchasers. Additionally, the compound’s role in academic research is highlighted by searches for "mechanism of action studies," driving content strategies toward educational resources.

Emerging discussions on AI-driven molecular design have also put Methyl 3-acetyl-4-aminobenzoate in the spotlight. Computational models predict its reactivity patterns, reducing lab trial costs—a nod to the "digital transformation of chemistry" trend. Furthermore, its compatibility with biodegradable materials resonates with eco-conscious innovations, a priority for sectors like green chemistry.

In summary, Methyl 3-acetyl-4-aminobenzoate (CAS No. 111714-47-7) exemplifies the intersection of scientific advancement and industrial applicability. Its multifaceted uses—from API development to niche material science—ensure its continued relevance. By addressing both technical specifications and market-driven queries, this overview bridges the gap between researchers and end-users, fostering informed decision-making.

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