Cas no 103863-14-5 (4-phenylpyridine-3-carboxylic acid)

4-Phenylpyridine-3-carboxylic acid is a versatile heterocyclic compound featuring both a phenyl and a pyridine moiety, with a carboxylic acid functional group at the 3-position. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its aromatic and electron-rich pyridine ring enhances reactivity in coupling reactions, while the carboxylic acid group allows for further derivatization, such as esterification or amidation. The compound’s stability and well-defined reactivity profile make it suitable for use in medicinal chemistry, ligand design, and material science applications. Its purity and consistent performance underscore its utility in research and industrial settings.
4-phenylpyridine-3-carboxylic acid structure
103863-14-5 structure
Product Name:4-phenylpyridine-3-carboxylic acid
CAS No:103863-14-5
MF:C12H9NO2
MW:199.205363035202
MDL:MFCD04114252
CID:125902
Update Time:2025-10-29

4-phenylpyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Phenylnicotinic acid
    • 3-Pyridinecarboxylicacid, 4-phenyl-
    • 4-phenylpyridine-3-carboxylic acid
    • 4-phenyl-3-pyridinecarboxylic acid
    • 4-Phenylpyridin-3-carbonsaeure
    • MDL: MFCD04114252
    • Inchi: 1S/C12H9NO2/c14-12(15)11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
    • InChI Key: HMFLWFBUKXQGIJ-UHFFFAOYSA-N
    • SMILES: OC(C1C=NC=CC=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 199.06300
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.44680

4-phenylpyridine-3-carboxylic acid 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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4-phenylpyridine-3-carboxylic acid Related Literature

Additional information on 4-phenylpyridine-3-carboxylic acid

Comprehensive Overview of 4-Phenylpyridine-3-carboxylic Acid (CAS No. 103863-14-5): Properties, Applications, and Research Insights

4-Phenylpyridine-3-carboxylic acid (CAS No. 103863-14-5) is a heterocyclic organic compound featuring a pyridine ring substituted with a phenyl group at the 4-position and a carboxylic acid moiety at the 3-position. This unique structure endows it with versatile chemical properties, making it a valuable intermediate in pharmaceutical synthesis, material science, and agrochemical research. The compound’s molecular formula (C12H9NO2) and molecular weight (199.21 g/mol) are critical for stoichiometric calculations in synthetic workflows.

In recent years, 4-phenylpyridine-3-carboxylic acid derivatives have garnered attention due to their potential in drug discovery, particularly as building blocks for kinase inhibitors and antimicrobial agents. Researchers are exploring its role in medicinal chemistry, where its pharmacophore structure aligns with targets like inflammation and neurodegenerative diseases. A surge in Google Scholar citations reflects growing interest in its structure-activity relationship (SAR) studies, a trending topic in AI-driven drug design platforms.

The compound’s solubility in polar solvents (e.g., DMSO, methanol) and melting point (reported ~200–210°C) are pivotal for laboratory handling. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed for purity verification, addressing a common query among synthetic chemists about quality control protocols. Notably, its UV-Vis absorption profile makes it relevant in photocatalysis research, a hot topic in sustainable chemistry.

From an industrial perspective, 4-phenylpyridine-3-carboxylic acid serves as a precursor for ligand synthesis in transition-metal catalysis, a field gaining traction due to the demand for greener chemical processes. Its chelating ability is exploited in designing metal-organic frameworks (MOFs), aligning with the nanomaterials boom. SEO trends reveal high search volumes for “MOF precursors” and “heterocyclic carboxylic acids”, underscoring its commercial relevance.

Environmental and safety profiles of CAS 103863-14-5 are frequently queried in REACH compliance discussions. While not classified as hazardous, proper PPE (gloves, goggles) is recommended during handling, reflecting industry focus on lab safety standards. Its biodegradability data remains limited, a gap highlighted in recent green chemistry forums.

In academia, the compound’s crystallographic data (e.g., Cambridge Structural Database entries) supports computational modeling studies. This intersects with the rise of AI-powered molecular docking tools, a frequent search term among computational chemists. Patent analyses reveal applications in OLED materials, tying into the flexible electronics market surge.

Future research directions may explore 4-phenylpyridine-3-carboxylic acid’s role in bioorthogonal chemistry or proteolysis-targeting chimeras (PROTACs), addressing trending PubMed queries. Its scalable synthesis routes—often searched in process chemistry circles—remain an area for optimization, particularly for continuous flow systems.

In summary, 103863-14-5 exemplifies how niche heterocycles bridge multidisciplinary research. Its dual utility in life sciences and advanced materials ensures sustained interest, mirrored by SEO metrics on “specialty chemicals” and “high-value intermediates”. As open-access databases expand, collaborative studies on this compound are poised to accelerate.

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