Cas no 15905-18-7 (Methyl nicotinate 1-oxide)

Methyl nicotinate 1-oxide is a derivative of nicotinic acid, characterized by the presence of an N-oxide functional group and a methyl ester moiety. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its reactivity as an intermediate. The N-oxide group enhances its solubility in polar solvents, facilitating its use in various chemical transformations. Its structural features make it valuable for studying oxidation reactions and as a precursor for bioactive molecules. The methyl ester group further improves its stability and handling properties. Methyl nicotinate 1-oxide is often employed in the development of novel compounds with potential applications in medicinal chemistry and material science.
Methyl nicotinate 1-oxide structure
Methyl nicotinate 1-oxide structure
Product Name:Methyl nicotinate 1-oxide
CAS No:15905-18-7
MF:C7H7NO3
MW:153.135381937027
CID:50254
PubChem ID:85180
Update Time:2025-10-24

Methyl nicotinate 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Methyl nicotinate 1-oxide
    • 1-Oxynicotinic acid methyl ester
    • 1-OXY-NICOTINIC ACID METHYL ESTER
    • 1-Oxy-nicotinsaeure-methylester
    • 3-(methoxycarbonyl)pyridine 1-oxide
    • 3-methoxycarbonylpyridine N-oxide
    • Einecs 240-045-5
    • METHYL NICOTINATE N-OXIDE
    • AKOS004896821
    • methyl 1-oxidopyridin-1-ium-3-carboxylate
    • 3-(Methoxycarbonyl)pyridine N-oxide
    • SCHEMBL2818943
    • 3-Pyridinecarboxylic acid, methyl ester, 1-oxide
    • 3-Methoxycarbonylpyridine 1-oxide
    • MFCD00128854
    • Methyl 3-pyridinecarboxylate 1-oxide
    • 3-Methoxycarbonylpyridine-N-oxide
    • AJ-333/25006108
    • NS00055485
    • 15905-18-7
    • 3-(METHOXYCARBONYL)PYRIDIN-1-IUM-1-OLATE
    • MDL: MFCD00128854
    • Inchi: 1S/C7H7NO3/c1-11-7(9)6-3-2-4-8(10)5-6/h2-5H,1H3
    • InChI Key: RVBKAFFMAQAFGK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=C[N+](=C1)[O-])=O

Computed Properties

  • Exact Mass: 153.04300
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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: -0.3
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 51.76000
  • LogP: 0.90170

Methyl nicotinate 1-oxide Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Methyl nicotinate 1-oxide

Methyl Nicotinate 1-Oxide (CAS No. 15905-18-7): A Comprehensive Overview

Methyl nicotinate 1-oxide, also known by its CAS registry number 15905-18-7, is a chemical compound that has garnered significant attention in recent years due to its unique properties and potential applications in various fields. This compound is a derivative of nicotinic acid, a well-known precursor to niacin, and its oxidized form introduces interesting chemical and biological characteristics. In this article, we will delve into the structure, synthesis, properties, and applications of methyl nicotinate 1-oxide, while incorporating the latest research findings to provide a comprehensive understanding of this compound.

The molecular structure of methyl nicotinate 1-oxide consists of a pyridine ring with an ester group attached at the methyl position and an oxygen atom in the oxidized state. This configuration imparts distinct electronic properties to the molecule, making it suitable for various chemical reactions and biological interactions. Recent studies have highlighted the importance of such structural features in determining the compound's reactivity and stability under different conditions.

One of the key areas where methyl nicotinate 1-oxide has shown promise is in the field of pharmacology. Researchers have explored its potential as a precursor for synthesizing bioactive compounds, including those with anti-inflammatory and antioxidant properties. For instance, a study published in 2023 demonstrated that derivatives of methyl nicotinate 1-oxide could inhibit certain enzymes associated with inflammatory pathways, suggesting its role in developing novel therapeutic agents.

In addition to its pharmacological applications, methyl nicotinate 1-oxide has also been investigated for its role in organic synthesis. Its ability to act as both an oxidizing agent and a building block for more complex molecules makes it a valuable reagent in synthetic chemistry. Recent advancements in catalytic methods have further enhanced its utility, enabling more efficient and selective transformations involving this compound.

The synthesis of methyl nicotinate 1-oxide typically involves oxidation reactions of methyl nicotinate under controlled conditions. Modern techniques, such as electrochemical oxidation or the use of transition metal catalysts, have improved the yield and purity of this compound. These methods are not only environmentally friendly but also align with current trends toward sustainable chemical processes.

From an environmental perspective, understanding the behavior of methyl nicotinate 1-oxide in different ecosystems is crucial. Studies have shown that this compound exhibits moderate biodegradability under aerobic conditions, which is an important consideration for its safe disposal and industrial use. Furthermore, its low toxicity profile makes it a safer alternative to other similar compounds in certain applications.

Looking ahead, the potential applications of methyl nicotinate 1-oxide are vast and continue to evolve with advancements in chemical research. Its role in drug discovery, material science, and green chemistry highlights its versatility as a compound with both academic and industrial relevance. As researchers uncover new properties and functionalities of methyl nicotinate 1-oxide, it is poised to play an increasingly important role in shaping future innovations across multiple disciplines.

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