Cas no 29640-90-2 (2-(4-Methyl-2-nitrophenyl)acetic acid)

2-(4-Methyl-2-nitrophenyl)acetic acid is a nitro-substituted phenylacetic acid derivative with applications in organic synthesis and pharmaceutical intermediates. Its structure features a methyl group at the para position and a nitro group at the ortho position relative to the acetic acid side chain, offering reactivity for further functionalization. This compound is valued for its role in constructing complex molecules, particularly in medicinal chemistry, where it may serve as a precursor for bioactive compounds. The nitro group enhances electrophilic properties, facilitating selective transformations. High purity and consistent quality ensure reliable performance in synthetic workflows. Suitable for controlled reactions under standard laboratory conditions.
2-(4-Methyl-2-nitrophenyl)acetic acid structure
29640-90-2 structure
Product Name:2-(4-Methyl-2-nitrophenyl)acetic acid
CAS No:29640-90-2
MF:C9H9NO4
MW:195.172062635422
CID:2662871
PubChem ID:20706339
Update Time:2025-05-19

2-(4-Methyl-2-nitrophenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 4-methyl-2-nitrophenylacetic acid
    • Benzoylcholine Chloride
    • 2-(4-methyl-2-nitrophenyl)acetic acid
    • 4-Methyl-2-nitro-phenyl-acetic acid
    • 29640-90-2
    • MFCD08276007
    • BS-49870
    • (4-METHYL-2-NITROPHENYL)ACETIC ACID
    • J-515713
    • SCHEMBL1492461
    • AKOS006287664
    • F72523
    • 2-(4-Methyl-2-nitrophenyl)acetic acid
    • Inchi： 1S/C9H9NO4/c1-6-2-3-7(5-9(11)12)8(4-6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
    • InChI Key： DXXWGXHJDCZCSN-UHFFFAOYSA-N
    • SMILES： OC(CC1C=CC(C)=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 195.05315777g/mol
  • Monoisotopic Mass: 195.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • 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: 83.1
  • XLogP3: 1.6

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2-(4-Methyl-2-nitrophenyl)acetic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:29640-90-2)2-(4-Methyl-2-nitrophenyl)acetic acid
Order Number:A1221591
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:42
Price ($):643

2-(4-Methyl-2-nitrophenyl)acetic acid Related Literature

Additional information on 2-(4-Methyl-2-nitrophenyl)acetic acid

Research Briefing on 2-(4-Methyl-2-nitrophenyl)acetic acid (CAS: 29640-90-2): Recent Advances and Applications

2-(4-Methyl-2-nitrophenyl)acetic acid (CAS: 29640-90-2) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This briefing provides an overview of the latest research developments related to this compound, focusing on its synthesis, applications, and potential therapeutic uses. Recent studies have highlighted its role as a key intermediate in the synthesis of more complex molecules, particularly in the development of novel pharmaceuticals and bioactive compounds.

One of the most notable advancements in the study of 2-(4-Methyl-2-nitrophenyl)acetic acid is its application in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs). Researchers have demonstrated that this compound can serve as a precursor in the production of derivatives with enhanced anti-inflammatory properties. A 2023 study published in the Journal of Medicinal Chemistry explored the optimization of synthetic pathways to improve the yield and purity of these derivatives, paving the way for more efficient large-scale production.

In addition to its role in NSAID development, recent investigations have uncovered potential applications of 2-(4-Methyl-2-nitrophenyl)acetic acid in cancer research. A team at the University of Cambridge reported in Bioorganic & Medicinal Chemistry Letters that derivatives of this compound exhibit promising activity against certain cancer cell lines. The study identified specific structural modifications that enhance cytotoxicity while minimizing off-target effects, suggesting a new avenue for anticancer drug discovery.

Another significant area of research involves the use of 2-(4-Methyl-2-nitrophenyl)acetic acid in the development of enzyme inhibitors. A 2024 paper in ACS Chemical Biology detailed how this compound's nitro group makes it a valuable scaffold for designing inhibitors of specific enzymes involved in inflammatory pathways. The researchers utilized computational modeling and high-throughput screening to identify optimal derivatives with improved binding affinity and selectivity.

The compound's physicochemical properties have also been the subject of recent investigations. A comprehensive study published in the Journal of Pharmaceutical Sciences in early 2024 characterized the solubility, stability, and crystallinity of 2-(4-Methyl-2-nitrophenyl)acetic acid under various conditions. These findings are particularly valuable for formulation scientists working to develop stable drug products containing this compound or its derivatives.

Looking forward, researchers are exploring the potential of 2-(4-Methyl-2-nitrophenyl)acetic acid in targeted drug delivery systems. Preliminary results from a multinational collaboration suggest that the compound's structure can be modified to create pH-sensitive prodrugs that release active pharmaceutical ingredients specifically in tumor microenvironments. This approach could significantly improve the therapeutic index of anticancer agents while reducing systemic toxicity.

In conclusion, 2-(4-Methyl-2-nitrophenyl)acetic acid continues to be a compound of great interest in chemical biology and pharmaceutical research. Recent studies have expanded our understanding of its potential applications, from anti-inflammatory drugs to anticancer therapies and enzyme inhibitors. As synthetic methodologies advance and our knowledge of structure-activity relationships grows, this compound is likely to play an increasingly important role in drug discovery and development.

29640-90-2 (2-(4-Methyl-2-nitrophenyl)acetic acid) Related Products

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Amadis Chemical Company Limited
(CAS:29640-90-2)2-(4-Methyl-2-nitrophenyl)acetic acid
A1221591
Purity:99%
Quantity:5g
Price ($):643
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