Cas no 123039-72-5 (4-Amino-3,5-dimethoxybenzoic acid)

4-Amino-3,5-dimethoxybenzoic acid is a substituted benzoic acid derivative featuring amino and dimethoxy functional groups at the 3,5-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its electron-rich aromatic structure and reactive amino group make it suitable for further functionalization, such as amide formation or coupling reactions. The dimethoxy substituents enhance solubility in organic solvents, facilitating purification and downstream applications. The compound’s stability under standard conditions ensures reliable handling and storage. It is commonly employed in research settings for the development of bioactive molecules and advanced materials.
4-Amino-3,5-dimethoxybenzoic acid structure
123039-72-5 structure
Product Name:4-Amino-3,5-dimethoxybenzoic acid
CAS No:123039-72-5
MF:C9H11NO4
MW:197.187942743301
MDL:MFCD03425882
CID:104321
PubChem ID:12409091
Update Time:2025-09-27

4-Amino-3,5-dimethoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3,5-dimethoxybenzoic acid
    • Benzoic acid,4-amino-3,5-dimethoxy-
    • 4-Amino-3,5-dimethoxy-benzoesaeure
    • Benzoic acid,4-amino-3,5-dimethoxy
    • Benzoic acid, 4-amino-3,5-dimethoxy-
    • LVDQOCGPVJLBKQ-UHFFFAOYSA-N
    • BCP22316
    • FCH847728
    • VZ28220
    • AK135788
    • AX8093765
    • AB0059110
    • 123039-72-5
    • CS-0456462
    • A890861
    • DTXSID80496907
    • AS-40421
    • AKOS006279481
    • MFCD03425882
    • SCHEMBL10337638
    • YEA03972
    • 4-Amino-3,5-dimethoxybenzoicacid
    • SY033642
    • MDL: MFCD03425882
    • Inchi: 1S/C9H11NO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,10H2,1-2H3,(H,11,12)
    • InChI Key: LVDQOCGPVJLBKQ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=O)O)C=C(C=1N)OC

Computed Properties

  • Exact Mass: 197.06900
  • Monoisotopic Mass: 197.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 195
  • 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: 0.7
  • Topological Polar Surface Area: 81.8

Experimental Properties

  • Density: 1.295±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 384.1±42.0℃ at 760 mmHg
  • Solubility: Slightly soluble (3 g/l) (25 o C),
  • PSA: 81.78000
  • LogP: 1.56540

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Additional information on 4-Amino-3,5-dimethoxybenzoic acid

Comprehensive Overview of 4-Amino-3,5-dimethoxybenzoic acid (CAS No. 123039-72-5): Properties, Applications, and Industry Insights

4-Amino-3,5-dimethoxybenzoic acid (CAS No. 123039-72-5) is a specialized organic compound with a molecular formula of C9H11NO4. This benzoic acid derivative is characterized by its amino and dimethoxy functional groups, which contribute to its unique chemical properties. The compound is widely utilized in pharmaceutical research, agrochemical synthesis, and material science due to its versatile reactivity. Its CAS number 123039-72-5 serves as a critical identifier for researchers and regulatory compliance.

In recent years, the demand for 4-Amino-3,5-dimethoxybenzoic acid has surged, driven by its role in developing high-performance polymers and drug intermediates. A trending topic in scientific forums is its potential application in green chemistry, where its derivatization can reduce environmental impact. Users frequently search for "synthesis methods for 4-Amino-3,5-dimethoxybenzoic acid" or "CAS 123039-72-5 solubility data," highlighting the need for accessible technical data.

The compound’s physicochemical properties, such as a melting point range of 210–215°C and moderate solubility in polar solvents like DMSO, make it suitable for laboratory-scale reactions. Analytical techniques like HPLC and NMR spectroscopy are commonly employed to verify its purity. Researchers also explore its structure-activity relationship (SAR) in medicinal chemistry, particularly for designing enzyme inhibitors.

From an industrial perspective, 4-Amino-3,5-dimethoxybenzoic acid is a key intermediate in producing UV stabilizers and liquid crystal materials. Sustainability-focused queries, such as "biodegradable derivatives of CAS 123039-72-5," reflect growing environmental concerns. Manufacturers are increasingly adopting catalytic processes to optimize yield while minimizing waste.

Quality control protocols for CAS No. 123039-72-5 emphasize chromatographic purity (>98%) and low heavy-metal content. Regulatory frameworks like REACH and FDA guidelines govern its use in end-products. The compound’s stability under inert conditions ensures long shelf-life, a critical factor for supply chain logistics.

Emerging applications include its use in electronic materials, where its aromatic structure enhances charge transport in organic semiconductors. Patent analyses reveal a rise in innovations leveraging 4-Amino-3,5-dimethoxybenzoic acid for flexible electronics. This aligns with searches for "conductive polymers from benzoic acid derivatives," indicating cross-disciplinary interest.

In summary, 4-Amino-3,5-dimethoxybenzoic acid (CAS No. 123039-72-5) bridges fundamental research and industrial applications. Its adaptability to green synthesis and advanced material design positions it as a compound of enduring relevance. Future studies may explore its nanoscale formulations or catalytic asymmetric reactions, addressing both scientific curiosity and market needs.

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