Cas no 61063-11-4 (2-Amino-3-nitrobenzoic Acid Ethyl Ester)

2-Amino-3-nitrobenzoic Acid Ethyl Ester is a nitro-substituted aromatic ester with the molecular formula C9H10N2O4. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, dyes, and agrochemicals. Its nitro and amino functional groups offer reactive sites for further chemical modifications, enabling applications in heterocyclic chemistry and coupling reactions. The ethyl ester moiety enhances solubility in organic solvents, facilitating purification and handling. With a well-defined structure and consistent purity, this compound is suitable for research and industrial processes requiring precise functional group transformations. Its stability under standard conditions ensures reliable performance in synthetic workflows.
2-Amino-3-nitrobenzoic Acid Ethyl Ester structure
61063-11-4 structure
Product Name:2-Amino-3-nitrobenzoic Acid Ethyl Ester
CAS No:61063-11-4
MF:C9H10N2O4
MW:210.186702251434
MDL:MFCD12547156
CID:517589
PubChem ID:393670
Update Time:2025-06-15

2-Amino-3-nitrobenzoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-amino-3-nitro-, ethyl ester
    • 2-AMINO-3-NITRO BENZOIC ACID ETHYL ESTER
    • ethyl 2-amino-3-nitrobenzoate
    • 2-Amino-3-nitro-benzoesaeure-aethylester
    • 2-amino-3-nitro-benzoic acid ethyl ester
    • AC1L96N7
    • AC1Q5ATX
    • Ethyl 2-amino-3-(hydroxy(oxido)amino)benzoate
    • ethyl 3-nitro-2-aminobenzoate
    • ethyl 3-nitroanthranilate
    • NSC696044
    • SureCN4728649
    • NSC-696044
    • AKOS007930046
    • benzoic acid, 2-amino-3-nitro-, ethyl ester
    • NCI60_034317
    • SCHEMBL4728649
    • DA-04441
    • UNII-9EK8TYD2RC
    • MIVXXTKDCKQHCD-UHFFFAOYSA-N
    • MFCD12547156
    • 61063-11-4
    • CHEMBL1991708
    • G90656
    • 2-Amino-3-nitrobenzoic acid ethyl ester
    • 9EK8TYD2RC
    • DTXSID90209944
    • ethyl 2-amino-3-nitro-benzoate
    • NSC 696044
    • 2-Amino-3-nitro benzoic acid ethyl ester
    • EN300-6511125
    • 2-Amino-3-nitrobenzoic Acid Ethyl Ester
    • MDL: MFCD12547156
    • Inchi: 1S/C9H10N2O4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2,10H2,1H3
    • InChI Key: MIVXXTKDCKQHCD-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC=C(C=1N)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 210.0641
  • Monoisotopic Mass: 210.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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: 2.4
  • Topological Polar Surface Area: 98.1?2

Experimental Properties

  • PSA: 95.46
  • LogP: 2.45810

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Additional information on 2-Amino-3-nitrobenzoic Acid Ethyl Ester

Recent Advances in the Research of 2-Amino-3-nitrobenzoic Acid Ethyl Ester (CAS: 61063-11-4)

2-Amino-3-nitrobenzoic Acid Ethyl Ester (CAS: 61063-11-4) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its nitro and amino functional groups, has been the subject of recent studies due to its potential applications in drug synthesis and biological activity modulation. The following research brief provides an overview of the latest findings related to this compound, focusing on its synthesis, properties, and applications in medicinal chemistry.

Recent studies have highlighted the role of 2-Amino-3-nitrobenzoic Acid Ethyl Ester as a key intermediate in the synthesis of heterocyclic compounds, which are pivotal in the development of new pharmaceuticals. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its utility in the synthesis of novel benzimidazole derivatives, which exhibit promising antimicrobial and anticancer activities. The researchers employed a multi-step synthetic pathway, with 2-Amino-3-nitrobenzoic Acid Ethyl Ester serving as a critical building block. The study reported a yield of 78% for the target derivatives, underscoring the efficiency of this compound in synthetic applications.

In addition to its synthetic utility, 2-Amino-3-nitrobenzoic Acid Ethyl Ester has been investigated for its biological properties. A 2023 study in Bioorganic & Medicinal Chemistry Letters explored its potential as an inhibitor of specific enzymes involved in inflammatory pathways. The compound demonstrated moderate inhibitory activity against cyclooxygenase-2 (COX-2), suggesting its potential as a lead compound for the development of anti-inflammatory agents. Further structural modifications are being explored to enhance its potency and selectivity.

The pharmacokinetic properties of 2-Amino-3-nitrobenzoic Acid Ethyl Ester have also been a focus of recent research. A preclinical study conducted by a team at the University of Cambridge (2024) investigated its absorption, distribution, metabolism, and excretion (ADME) profiles. The results indicated that the compound exhibits favorable oral bioavailability and moderate metabolic stability, making it a viable candidate for further drug development. However, the study also noted the need for optimization to reduce potential toxicity concerns.

Recent advancements in analytical techniques have facilitated a deeper understanding of the compound's molecular interactions. For instance, a 2024 study published in Analytical Chemistry utilized high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy to elucidate the compound's binding affinity with various biological targets. These findings provide valuable insights into its mechanism of action and potential therapeutic applications.

In conclusion, 2-Amino-3-nitrobenzoic Acid Ethyl Ester (CAS: 61063-11-4) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate and its promising biological activities make it a valuable subject for ongoing and future studies. Further research is needed to explore its full potential, particularly in the context of drug development and therapeutic applications.

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