Cas no 1805414-61-2 (4-Bromo-3-ethoxy-2-nitropyridine)

4-Bromo-3-ethoxy-2-nitropyridine is a halogenated nitropyridine derivative with a molecular formula of C?H?BrN?O?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of bromine and nitro groups at the 4- and 2-positions, respectively, enhances its reactivity for nucleophilic substitution and cross-coupling reactions. The ethoxy group at the 3-position further modifies its electronic properties, making it useful for regioselective functionalization. Its well-defined structure and high purity ensure consistent performance in synthetic applications. Suitable for use under controlled conditions, this compound is handled with standard laboratory safety protocols due to its potential reactivity.
4-Bromo-3-ethoxy-2-nitropyridine structure
1805414-61-2 structure
Product Name:4-Bromo-3-ethoxy-2-nitropyridine
CAS No:1805414-61-2
MF:C7H7BrN2O3
MW:247.046080827713
CID:4900661
Update Time:2025-08-03

4-Bromo-3-ethoxy-2-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-ethoxy-2-nitropyridine
    • Inchi: 1S/C7H7BrN2O3/c1-2-13-6-5(8)3-4-9-7(6)10(11)12/h3-4H,2H2,1H3
    • InChI Key: VODGHQKARYWWNI-UHFFFAOYSA-N
    • SMILES: BrC1C=CN=C(C=1OCC)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 185
  • XLogP3: 2
  • Topological Polar Surface Area: 67.9

4-Bromo-3-ethoxy-2-nitropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029013336-250mg
4-Bromo-3-ethoxy-2-nitropyridine
1805414-61-2 95%
250mg
$999.60 2022-04-01
Alichem
A029013336-1g
4-Bromo-3-ethoxy-2-nitropyridine
1805414-61-2 95%
1g
$3,126.60 2022-04-01

Additional information on 4-Bromo-3-ethoxy-2-nitropyridine

Comprehensive Overview of 4-Bromo-3-ethoxy-2-nitropyridine (CAS No. 1805414-61-2)

4-Bromo-3-ethoxy-2-nitropyridine (CAS No. 1805414-61-2) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitropyridine derivative is characterized by its unique molecular structure, featuring a bromine atom at the 4-position, an ethoxy group at the 3-position, and a nitro group at the 2-position of the pyridine ring. Such structural attributes make it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of drug candidates and crop protection agents.

The growing interest in 4-Bromo-3-ethoxy-2-nitropyridine is partly driven by its role in medicinal chemistry. Researchers are exploring its potential as a building block for kinase inhibitors, which are pivotal in treating cancers and inflammatory diseases. Additionally, its nitro-aromatic properties make it a candidate for designing antibacterial and antifungal agents, addressing the global challenge of antimicrobial resistance (AMR).

From a synthetic perspective, CAS 1805414-61-2 is often utilized in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, due to the reactivity of its bromine substituent. This versatility aligns with the pharmaceutical industry's demand for highly functionalized intermediates that streamline drug discovery workflows. Moreover, its ethoxy group enhances solubility, a critical factor in formulation development.

Environmental and regulatory considerations are also shaping the discourse around 4-Bromo-3-ethoxy-2-nitropyridine. With increasing emphasis on green chemistry, researchers are investigating eco-friendly synthetic routes for this compound, such as catalytic methods that minimize waste. This aligns with the broader trend of sustainable chemical manufacturing, a topic frequently searched in academic and industrial circles.

Analytical techniques like HPLC, NMR, and mass spectrometry are essential for characterizing 1805414-61-2, ensuring purity and consistency for end-use applications. Quality control is paramount, especially when the compound is employed in preclinical studies or material science applications, such as organic electronics.

In summary, 4-Bromo-3-ethoxy-2-nitropyridine (CAS No. 1805414-61-2) exemplifies the intersection of chemical innovation and practical utility. Its multifaceted applications—from life sciences to advanced materials—underscore its relevance in contemporary research. As scientific inquiries into heterocyclic chemistry and targeted therapeutics expand, this compound is poised to remain a focal point in both academic and industrial settings.

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