Cas no 900799-89-5 (2-Chloro-6-hydroxymethyl-isonicotinic acid)

2-Chloro-6-hydroxymethyl-isonicotinic acid is a versatile heterocyclic compound featuring both chloro and hydroxymethyl functional groups on an isonicotinic acid scaffold. Its structural properties make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients and fine chemicals. The chloro substituent enhances reactivity in substitution reactions, while the hydroxymethyl group offers a handle for further derivatization, such as esterification or etherification. This compound exhibits stability under standard handling conditions and is compatible with a range of synthetic transformations. Its well-defined reactivity profile makes it suitable for applications in medicinal chemistry and material science, where precise functionalization is critical.
2-Chloro-6-hydroxymethyl-isonicotinic acid structure
900799-89-5 structure
Product Name:2-Chloro-6-hydroxymethyl-isonicotinic acid
CAS No:900799-89-5
MF:C7H6ClNO3
MW:187.580440998077
CID:2122055
Update Time:2025-05-24

2-Chloro-6-hydroxymethyl-isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-6-hydroxymethylisonicotinic acid
    • XJPGPQOESPWFKD-UHFFFAOYSA-N
    • 2-Chloro-6-hydroxymethyl-isonicotinic acid
    • 4-Pyridinecarboxylic acid, 2-chloro-6-(hydroxymethyl)-
    • Inchi: 1S/C7H6ClNO3/c8-6-2-4(7(11)12)1-5(3-10)9-6/h1-2,10H,3H2,(H,11,12)
    • InChI Key: XJPGPQOESPWFKD-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(=O)O)=CC(CO)=N1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 176
  • Topological Polar Surface Area: 70.4

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Additional information on 2-Chloro-6-hydroxymethyl-isonicotinic acid

Comprehensive Overview of 2-Chloro-6-hydroxymethyl-isonicotinic acid (CAS No. 900799-89-5)

2-Chloro-6-hydroxymethyl-isonicotinic acid (CAS No. 900799-89-5) is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique chloro and hydroxymethyl functional groups, has garnered attention for its potential as a building block in the synthesis of bioactive molecules. Its molecular structure, combining a pyridine ring with substituents, makes it a versatile intermediate in modern chemical synthesis.

In recent years, the demand for 2-Chloro-6-hydroxymethyl-isonicotinic acid has surged due to its role in developing novel antimicrobial agents and herbicides. Researchers are particularly interested in its ability to modulate biological pathways, making it a candidate for drug discovery projects. The compound's CAS No. 900799-89-5 is frequently searched in academic databases, reflecting its growing importance in scientific literature.

One of the key trends driving interest in this compound is the rise of green chemistry and sustainable synthesis methods. Scientists are exploring eco-friendly routes to produce 2-Chloro-6-hydroxymethyl-isonicotinic acid, minimizing waste and energy consumption. This aligns with global efforts to reduce the environmental footprint of chemical manufacturing, a topic highly relevant to industries and regulatory bodies.

Another area of focus is the compound's potential in crop protection. With increasing concerns about food security and pesticide resistance, agrochemical companies are investigating derivatives of 2-Chloro-6-hydroxymethyl-isonicotinic acid for next-generation plant growth regulators. Its structural features allow for modifications that can enhance efficacy while reducing toxicity, addressing consumer demands for safer agricultural products.

From a technical perspective, the synthesis of 2-Chloro-6-hydroxymethyl-isonicotinic acid involves multi-step reactions, often starting from commercially available pyridine derivatives. Optimizing these processes for scalability and yield is a common challenge discussed in patent filings and research papers. The compound's hydroxymethyl group offers a reactive site for further functionalization, enabling the creation of diverse molecular libraries for high-throughput screening.

Quality control of CAS No. 900799-89-5 is critical for ensuring consistent performance in end-use applications. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to verify purity and identify impurities. These methods are essential for meeting the stringent requirements of pharmaceutical-grade materials, where even trace contaminants can impact biological activity.

The stability of 2-Chloro-6-hydroxymethyl-isonicotinic acid under various storage conditions is another frequently researched topic. Proper handling, including protection from moisture and light, is recommended to maintain its integrity over time. Material safety data sheets (MSDS) provide detailed guidance on storage and handling procedures, ensuring compliance with workplace safety standards.

Looking ahead, the applications of 2-Chloro-6-hydroxymethyl-isonicotinic acid may expand into emerging fields such as biomaterials and electronic chemicals. Its molecular architecture could be adapted for designing functional materials with specific optical or electronic properties. Such interdisciplinary applications highlight the compound's versatility beyond traditional domains.

For researchers sourcing this material, verifying the authenticity of CAS No. 900799-89-5 through certified suppliers is crucial. The market has seen instances of mislabeled or substandard products, emphasizing the need for rigorous quality assurance protocols. Third-party testing and certificates of analysis are valuable tools for ensuring procurement of genuine materials.

In conclusion, 2-Chloro-6-hydroxymethyl-isonicotinic acid represents a compelling case study in the intersection of chemistry and applied sciences. Its dual functionality, combined with evolving industrial needs, positions it as a compound of enduring relevance. As research continues to uncover new applications, this molecule is likely to remain a subject of intense scientific and commercial interest.

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