Cas no 88914-74-3 (Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester)

Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester is a nitro-substituted aromatic ester with a hydroxyethylamino functional group. This compound exhibits unique reactivity due to the electron-withdrawing nitro group and the nucleophilic hydroxyethylamino moiety, making it useful in synthetic organic chemistry applications. The methyl ester enhances solubility in organic solvents, facilitating reactions such as nucleophilic substitutions or reductions. Its structure allows for further derivatization, enabling the synthesis of more complex intermediates. The compound’s stability under standard conditions and well-defined reactivity profile make it a practical choice for research and industrial processes requiring precise functional group transformations.
Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester structure
88914-74-3 structure
Product Name:Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester
CAS No:88914-74-3
MF:C10H12N2O5
MW:240.212682723999
CID:1934591
PubChem ID:86246277
Update Time:2025-06-13

Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester
    • 3-(2-Hydroxy-ethylamino)-4-nitro-benzoic acid methyl ester
    • Methyl 3-((2-hydroxyethyl)amino]-4-nitrobenzoate
    • SCHEMBL17263068
    • 88914-74-3
    • DB-142908
    • Inchi: 1S/C10H12N2O5/c1-17-10(14)7-2-3-9(12(15)16)8(6-7)11-4-5-13/h2-3,6,11,13H,4-5H2,1H3
    • InChI Key: IWOAKRKNRRGONA-UHFFFAOYSA-N
    • SMILES: OCCNC1C=C(C(=O)OC)C=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 240.07462149Da
  • Monoisotopic Mass: 240.07462149Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 278
  • 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: 1.5
  • Topological Polar Surface Area: 104?2

Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester Pricemore >>

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Additional information on Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester

Research Briefing on Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester (CAS: 88914-74-3)

Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester (CAS: 88914-74-3) is a nitro-substituted benzoic acid derivative that has garnered attention in recent years due to its potential applications in medicinal chemistry and drug development. This compound, characterized by its unique structural features, has been the subject of several studies aimed at exploring its pharmacological properties, synthetic pathways, and potential therapeutic uses. This research briefing provides a comprehensive overview of the latest findings related to this compound, focusing on its chemical properties, biological activities, and recent advancements in its application within the pharmaceutical industry.

Recent studies have highlighted the significance of 88914-74-3 as a versatile intermediate in the synthesis of more complex molecules. Its nitro and hydroxyethylamino functional groups make it a valuable building block for the development of novel pharmacophores. Researchers have investigated its role in the synthesis of antimicrobial agents, with some studies reporting moderate activity against Gram-positive bacteria. Additionally, its potential as a precursor for fluorescent probes has been explored, owing to its nitro-aromatic structure, which can be leveraged for sensing applications in biological systems.

In terms of biological activity, preliminary in vitro studies have suggested that Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester may exhibit inhibitory effects on certain enzymatic pathways. For instance, one study demonstrated its ability to modulate the activity of tyrosine kinases, which are critical targets in cancer therapy. However, further validation through in vivo studies is required to confirm these findings and assess the compound's therapeutic potential. The compound's pharmacokinetic properties, including its solubility and metabolic stability, have also been investigated to evaluate its suitability as a drug candidate.

The synthetic routes for 88914-74-3 have been optimized in recent years to improve yield and purity. Green chemistry approaches, such as the use of eco-friendly solvents and catalysts, have been employed to reduce the environmental impact of its production. These advancements not only enhance the scalability of the compound but also align with the growing demand for sustainable chemical processes in the pharmaceutical industry. Furthermore, computational studies have been conducted to predict the compound's reactivity and interaction with biological targets, providing valuable insights for future drug design efforts.

Despite these promising developments, challenges remain in the widespread application of Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester. Issues such as potential toxicity and limited bioavailability need to be addressed through rigorous preclinical testing. Collaborative efforts between academic researchers and industry professionals are essential to overcome these hurdles and unlock the full potential of this compound. Future research directions may include the exploration of its derivatives for enhanced bioactivity and the development of targeted delivery systems to improve its efficacy.

In conclusion, Benzoic acid, 3-[(2-hydroxyethyl)amino]-4-nitro-, methyl ester (CAS: 88914-74-3) represents a compound of significant interest in the field of medicinal chemistry. Its unique structural attributes and diverse biological activities make it a promising candidate for further investigation. As research continues to uncover its potential, this compound may pave the way for the development of new therapeutic agents and innovative chemical tools. This briefing underscores the importance of ongoing studies and interdisciplinary collaboration to fully realize the applications of 88914-74-3 in the biomedical sciences.

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