Cas no 29704-38-9 (Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester)

Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester structure
29704-38-9 structure
Product Name:Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester
CAS No:29704-38-9
MF:C12H15NO4
MW:237.251803636551
MDL:MFCD24943244
CID:273869
PubChem ID:349070
Update Time:2025-10-29

Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester
    • (4-nitrophenyl)acetic acid tert-butyl ester
    • (4-nitro-phenyl)-acetic acid tert-butyl ester
    • (4-Nitro-phenyl)-essigsaeure-tert-butylester
    • 4-nitrophenylacetic acid tert-butyl ester
    • AC1L8ALO
    • NSC408625
    • p-Nitro-phenylessigsaeure-tert.-butylester
    • tert.-Butyl(4-nitrophenyl)acetate
    • NSC-408625
    • tert-butyl 2-(4-nitrophenyl)acetate
    • tert-butyl2-(4-nitrophenyl)acetate
    • SCHEMBL10996751
    • DTXSID10325094
    • AKOS018718418
    • BS-32230
    • 29704-38-9
    • MFCD24943244
    • D84591
    • DS-006830
    • MDL: MFCD24943244
    • Inchi: 1S/C12H15NO4/c1-12(2,3)17-11(14)8-9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3
    • InChI Key: DQXJXWHNSVKMAT-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC(=CC=1)[N+](=O)[O-])=O)C(C)(C)C

Computed Properties

  • Exact Mass: 237.10015
  • Monoisotopic Mass: 237.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 282
  • 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: 2.7
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 69.44

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Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester Related Literature

Additional information on Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester

Recent Advances in the Study of Benzeneacetic Acid,4-nitro-, 1,1-dimethylethyl Ester (CAS: 29704-38-9)

Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester (CAS: 29704-38-9) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. Recent studies have explored its potential applications in drug synthesis, biological activity, and material science. This research brief aims to summarize the latest findings related to this compound, providing insights into its properties, synthesis methods, and potential therapeutic uses.

One of the key areas of research has focused on the synthesis and optimization of Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester. A study published in the Journal of Organic Chemistry (2023) demonstrated a novel catalytic method for its synthesis, achieving higher yields and purity compared to traditional methods. The researchers utilized a palladium-based catalyst under mild conditions, which not only improved efficiency but also reduced environmental impact. This advancement is particularly relevant for large-scale pharmaceutical production.

In addition to its synthetic applications, recent investigations have explored the biological activities of this compound. A 2023 study in Bioorganic & Medicinal Chemistry Letters reported that Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester exhibits moderate inhibitory effects on certain inflammatory pathways. The compound was tested in vitro against COX-2 enzymes, showing promising results that could pave the way for its use in anti-inflammatory drug development. However, further in vivo studies are required to confirm these findings and assess potential toxicity.

Another significant development is the exploration of this compound's role in material science. Researchers at a leading university have incorporated Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester into polymer matrices to create materials with enhanced thermal stability and mechanical properties. These findings, published in Advanced Materials (2024), suggest potential applications in biomedical devices and drug delivery systems. The compound's unique chemical structure allows it to act as a cross-linking agent, improving the durability of polymeric materials.

Despite these advancements, challenges remain in the widespread application of Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester. Regulatory considerations, scalability of synthesis methods, and comprehensive toxicity profiles are areas that require further investigation. Collaborative efforts between academic institutions and pharmaceutical companies are essential to address these gaps and unlock the full potential of this compound.

In conclusion, recent research on Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester (CAS: 29704-38-9) highlights its multifaceted potential in drug development, material science, and synthetic chemistry. While promising results have been achieved, continued research is necessary to fully understand its mechanisms of action and optimize its applications. This compound represents an exciting avenue for future discoveries in the chemical biology and pharmaceutical fields.

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