Cas no 478031-03-7 (2-(4-chlorophenoxy)nicotinaldehyde)

2-(4-Chlorophenoxy)nicotinaldehyde is a versatile chemical intermediate used in organic synthesis and pharmaceutical research. Its structure combines a nicotinaldehyde core with a 4-chlorophenoxy substituent, offering reactivity at both the aldehyde and aromatic sites. This compound is particularly valuable for constructing heterocyclic frameworks and functionalized pyridine derivatives. The presence of the electron-withdrawing chloro group enhances its utility in nucleophilic substitution and cross-coupling reactions. It is commonly employed in the development of agrochemicals, pharmaceuticals, and specialty chemicals. The product is characterized by high purity and stability, ensuring consistent performance in synthetic applications. Proper handling and storage under inert conditions are recommended to maintain its integrity.
2-(4-chlorophenoxy)nicotinaldehyde structure
478031-03-7 structure
Product Name:2-(4-chlorophenoxy)nicotinaldehyde
CAS No:478031-03-7
MF:C12H8ClNO2
MW:233.650422096252
MDL:MFCD00794360
CID:2121247
PubChem ID:3485254
Update Time:2025-11-02

2-(4-chlorophenoxy)nicotinaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(4-chlorophenoxy)nicotinaldehyde
    • 478031-03-7
    • DB-329319
    • 2-(4-Chlorophenoxy)-3-pyridinecarboxaldehyde
    • MFCD00794360
    • 3L-338S
    • DTXSID601257523
    • AKOS005070162
    • 2-(4-chlorophenoxy)pyridine-3-carbaldehyde
    • CS-0452770
    • MDL: MFCD00794360
    • Inchi: 1S/C12H8ClNO2/c13-10-3-5-11(6-4-10)16-12-9(8-15)2-1-7-14-12/h1-8H
    • InChI Key: CQXMTALCLMFFTL-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)OC1C(C=O)=CC=CN=1

Computed Properties

  • Exact Mass: 233.0243562Da
  • Monoisotopic Mass: 233.0243562Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 229
  • 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: 2.8
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Melting Point: 90-92°C

2-(4-chlorophenoxy)nicotinaldehyde Security Information

2-(4-chlorophenoxy)nicotinaldehyde Pricemore >>

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Additional information on 2-(4-chlorophenoxy)nicotinaldehyde

Comprehensive Guide to 2-(4-Chlorophenoxy)nicotinaldehyde (CAS No. 478031-03-7): Properties, Applications, and Market Insights

2-(4-Chlorophenoxy)nicotinaldehyde (CAS No. 478031-03-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This chlorophenoxy-substituted nicotinaldehyde derivative is widely recognized for its unique structural features, making it a valuable intermediate in the synthesis of bioactive molecules. With the increasing demand for novel chemical entities in drug discovery, compounds like 2-(4-chlorophenoxy)nicotinaldehyde are becoming increasingly relevant.

The molecular structure of 2-(4-chlorophenoxy)nicotinaldehyde combines a nicotinaldehyde core with a 4-chlorophenoxy substituent, creating a versatile building block for various synthetic applications. Researchers particularly value this compound for its potential in developing heterocyclic compounds, which are crucial in modern medicinal chemistry. The presence of both aldehyde and aromatic ether functionalities allows for diverse chemical transformations, making it a popular choice among synthetic chemists.

In recent years, the pharmaceutical industry has shown growing interest in 2-(4-chlorophenoxy)nicotinaldehyde as a precursor for potential drug candidates. Its structural motifs appear in several classes of therapeutic agents, particularly those targeting central nervous system disorders and metabolic diseases. The compound's ability to serve as a scaffold for multi-target directed ligands has made it particularly valuable in the era of polypharmacology, where single molecules are designed to interact with multiple biological targets simultaneously.

The agrochemical sector has also explored applications for 2-(4-chlorophenoxy)nicotinaldehyde derivatives. Some studies suggest that modified versions of this compound may exhibit plant growth regulation properties or serve as intermediates for crop protection agents. As the agricultural industry seeks more sustainable and targeted solutions, the demand for specialized intermediates like this is expected to rise.

From a synthetic chemistry perspective, 2-(4-chlorophenoxy)nicotinaldehyde offers several advantages. The compound's relatively stable nature under standard laboratory conditions makes it convenient to handle, while its reactive aldehyde group provides numerous possibilities for further functionalization. Common reactions include condensation reactions, reductive amination, and nucleophilic addition, all of which are fundamental to creating more complex molecular architectures.

Market analysis indicates steady growth in demand for 2-(4-chlorophenoxy)nicotinaldehyde, particularly from contract research organizations and academic institutions engaged in drug discovery programs. The compound's CAS number (478031-03-7) has seen increasing search volume in scientific databases, reflecting its growing importance in chemical research. Suppliers have reported heightened interest from customers seeking high-purity samples for their synthetic projects.

Quality control is paramount when working with 2-(4-chlorophenoxy)nicotinaldehyde. Reputable manufacturers typically provide comprehensive analytical data, including HPLC purity reports, NMR spectra, and mass spectrometry confirmation. These quality assurances are particularly important for researchers who require consistent results in their synthetic pathways or biological screening assays.

Storage and handling recommendations for 2-(4-chlorophenoxy)nicotinaldehyde generally suggest keeping the compound in a cool, dry environment, protected from light. While not classified as highly hazardous, standard laboratory precautions should be observed when handling this chemical, including the use of appropriate personal protective equipment. The compound's physicochemical properties, such as melting point and solubility characteristics, should be considered when planning experimental procedures.

Recent publications have highlighted innovative uses of 2-(4-chlorophenoxy)nicotinaldehyde in materials science. Some research groups have incorporated derivatives of this compound into organic electronic materials, exploring potential applications in optoelectronic devices. This expansion into materials chemistry demonstrates the versatility of this chemical scaffold beyond its traditional applications in life sciences.

For researchers considering 2-(4-chlorophenoxy)nicotinaldehyde for their projects, several synthetic protocols are available in the literature. The compound can serve as a starting material for various nitrogen-containing heterocycles, which are privileged structures in medicinal chemistry. Its application in multicomponent reactions has been particularly noted for efficiently generating molecular diversity.

The future outlook for 2-(4-chlorophenoxy)nicotinaldehyde appears promising, with potential applications expanding into new areas of chemical research. As the scientific community continues to explore novel chemical space for drug discovery and materials development, versatile intermediates like this will likely maintain their importance. Ongoing research may uncover additional valuable properties or applications for this interesting chemical entity.

For those sourcing 2-(4-chlorophenoxy)nicotinaldehyde, it's advisable to work with established chemical suppliers who can provide proper documentation and technical support. The compound is typically available in research quantities, with some suppliers offering custom synthesis services or bulk quantities for larger-scale applications. Always verify the CAS number (478031-03-7) when ordering to ensure you receive the correct chemical entity.

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