Cas no 1179773-42-2 (Methyl 2-amino-3-fluoro-6-nitrobenzoate)

Technical Introduction: Methyl 2-amino-3-fluoro-6-nitrobenzoate is a fluorinated nitrobenzoate derivative with a molecular formula of C?H?FN?O?. This compound features a strategically positioned amino group, fluorine substituent, and nitro functionality on the aromatic ring, making it a versatile intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The fluorine atom enhances metabolic stability and binding affinity, while the nitro and ester groups offer reactivity for further functionalization. Its crystalline form ensures consistent purity, and its well-defined structure facilitates precise modifications in target-oriented syntheses. Suitable for use in cross-coupling reactions, nucleophilic substitutions, or as a precursor to heterocycles, this compound is valued for its synthetic utility and structural specificity.
Methyl 2-amino-3-fluoro-6-nitrobenzoate structure
1179773-42-2 structure
Product Name:Methyl 2-amino-3-fluoro-6-nitrobenzoate
CAS No:1179773-42-2
MF:C8H7FN2O4
MW:214.150585412979
CID:4795917
Update Time:2025-06-22

Methyl 2-amino-3-fluoro-6-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-amino-3-fluoro-6-nitrobenzoate
    • Methyl 2-amino-3-fluoro-6-nitrobenzoate
    • Inchi: 1S/C8H7FN2O4/c1-15-8(12)6-5(11(13)14)3-2-4(9)7(6)10/h2-3H,10H2,1H3
    • InChI Key: ZYQXSTWTUVALGB-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C(=O)OC)C=1N)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 268
  • XLogP3: 1.6
  • Topological Polar Surface Area: 98.1

Methyl 2-amino-3-fluoro-6-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015014973-250mg
Methyl 2-amino-3-fluoro-6-nitrobenzoate
1179773-42-2 97%
250mg
$504.00 2023-09-04
Alichem
A015014973-500mg
Methyl 2-amino-3-fluoro-6-nitrobenzoate
1179773-42-2 97%
500mg
$831.30 2023-09-04
Alichem
A015014973-1g
Methyl 2-amino-3-fluoro-6-nitrobenzoate
1179773-42-2 97%
1g
$1475.10 2023-09-04

Methyl 2-amino-3-fluoro-6-nitrobenzoate Related Literature

Additional information on Methyl 2-amino-3-fluoro-6-nitrobenzoate

Methyl 2-amino-3-fluoro-6-nitrobenzoate (CAS No. 1179773-42-2): A Comprehensive Overview

Methyl 2-amino-3-fluoro-6-nitrobenzoate, identified by the CAS registry number 1179773-42-2, is a chemically synthesized compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes an amino group, a fluoro substituent, and a nitro group attached to a benzoate backbone. The combination of these functional groups imparts distinctive chemical properties, making it a subject of interest for researchers exploring its potential applications in drug development and materials science.

The synthesis of Methyl 2-amino-3-fluoro-6-nitrobenzoate involves a series of carefully orchestrated chemical reactions. Recent advancements in synthetic methodologies have enabled the efficient production of this compound with high purity. Researchers have employed various strategies, including nucleophilic aromatic substitution and coupling reactions, to optimize the synthesis process. These efforts have not only improved yield but also minimized the environmental impact of its production, aligning with the growing demand for sustainable chemical practices.

In terms of chemical properties, Methyl 2-amino-3-fluoro-6-nitrobenzoate exhibits notable stability under standard laboratory conditions. Its solubility in organic solvents and moderate thermal stability make it suitable for a wide range of applications. Recent studies have highlighted its potential as an intermediate in the synthesis of bioactive compounds, particularly those with anti-inflammatory and anticancer properties. The presence of the nitro group, for instance, has been shown to enhance the compound's ability to inhibit certain enzymes associated with inflammatory pathways.

The biological activity of Methyl 2-amino-3-fluoro-6-nitrobenzoate has been extensively studied in vitro and in vivo models. Preclinical trials have demonstrated its efficacy in modulating cellular signaling pathways, particularly those involved in apoptosis and cell proliferation. These findings suggest that the compound could serve as a lead molecule for the development of novel therapeutic agents targeting chronic inflammatory diseases and malignancies.

Moreover, the structural versatility of Methyl 2-amino-3-fluoro-6-nitrobenzoate has opened avenues for its application in materials science. Researchers have explored its use as a precursor for advanced polymers and coatings with tailored optical and mechanical properties. The integration of this compound into polymer matrices has shown promise in enhancing material durability and resistance to environmental factors.

From an analytical standpoint, modern spectroscopic techniques such as NMR and mass spectrometry have been instrumental in confirming the compound's structure and purity. These tools have also facilitated the investigation of its interaction with biological systems at the molecular level, providing valuable insights into its mechanism of action.

In conclusion, Methyl 2-amino-3-fluoro-6-nitrobenzoate (CAS No. 1179773-42-2) stands out as a multifaceted compound with significant potential across diverse scientific domains. Its unique chemical composition, coupled with recent advancements in synthesis and application research, positions it as a key player in future innovations within organic chemistry and pharmacology.

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