Cas no 222180-20-3 (4'-Formyl-1,1'-biphenyl-3-carboxylic Acid)

4'-Formyl-1,1'-biphenyl-3-carboxylic Acid is a bifunctional aromatic compound featuring both a formyl (–CHO) and a carboxylic acid (–COOH) group on a biphenyl scaffold. This structure makes it a versatile intermediate in organic synthesis, particularly for constructing complex molecules such as pharmaceuticals, ligands, and polymers. The aldehyde and carboxylic acid functionalities allow for selective derivatization, enabling applications in cross-coupling reactions, condensation reactions, and metal-organic framework (MOF) synthesis. Its rigid biphenyl core contributes to structural stability, while the reactive groups facilitate further functionalization. The compound is commonly used in research and development for designing advanced materials and bioactive compounds.
4'-Formyl-1,1'-biphenyl-3-carboxylic Acid structure
222180-20-3 structure
Product Name:4'-Formyl-1,1'-biphenyl-3-carboxylic Acid
CAS No:222180-20-3
MF:C14H10O3
MW:226.227404117584
MDL:MFCD03426484
CID:244339
PubChem ID:2794723
Update Time:2025-10-28

4'-Formyl-1,1'-biphenyl-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4'-Formyl-[1,1'-biphenyl]-3-carboxylic acid
    • [1,1'-Biphenyl]-3-carboxylicacid, 4'-formyl-
    • 3-(4-formylphenyl)benzoic acid
    • 4'-Formyl(1,1'-biphenyl)-3-carboxylic acid
    • 4'-Formyl-1,1'-biphenyl-3-carboxylic acid
    • 4'-FORMYLBIPHENYL-3-CARBOXYLIC ACID
    • 4-Formylbiphenyl-3-carboxylic acid
    • 3-Biphenyl-4'-formyl-carboxylicacid
    • 3-Biphenyl-4'-formylcarboxylic acid
    • 4'-Formyl-biphenyl-3-carboxylic acid
    • 4'-formyl-3-biphenylcarboxylic acid
    • AKOS000314398
    • PLPKINAPTMTZJU-UHFFFAOYSA-N
    • SCHEMBL711947
    • 3-(4-Formylphenyl)benzoic acid, 97%
    • Z2587943008
    • 4'-formyl[1,1'-biphenyl]-3-carboxylic acid
    • AS-9712
    • FT-0655570
    • 222180-20-3
    • SY128079
    • EN300-332823
    • CS-0171094
    • 4 inverted exclamation mark -Formyl-[1,1 inverted exclamation mark -biphenyl]-3-carboxylic Acid
    • 4'-Formyl-[1,1'-biphenyl]-3-carboxylicacid
    • 3-Biphenyl-4'-formylcarboxylic acid; 3-(4-Formylphenyl)benzoic acid; 4'-Formyl(1,1'-biphenyl)-3-carboxylic acid;3-BIPHENYL-4'-FORMYL-CARBOXYLIC ACID
    • XIA18020
    • MFCD03426484
    • BB 0222400
    • AMY32696
    • DTXSID30383353
    • DB-004199
    • 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid
    • MDL: MFCD03426484
    • Inchi: 1S/C14H10O3/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)14(16)17/h1-9H,(H,16,17)
    • InChI Key: PLPKINAPTMTZJU-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)C1C=CC(C=O)=CC=1)=O

Computed Properties

  • Exact Mass: 226.06300
  • Monoisotopic Mass: 226.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 279
  • 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: 3.1
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Melting Point: 188-192 °C(lit.)
  • PSA: 54.37000
  • LogP: 2.86430

4'-Formyl-1,1'-biphenyl-3-carboxylic Acid Security Information

4'-Formyl-1,1'-biphenyl-3-carboxylic Acid Pricemore >>

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Additional information on 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid

Professional Introduction to 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid (CAS No: 222180-20-3)

4'-Formyl-1,1'-biphenyl-3-carboxylic Acid, with the chemical formula C14H10O2, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic derivative, identified by its CAS number 222180-20-3, has garnered attention due to its unique structural properties and potential applications in medicinal chemistry. The presence of both a formyl group and a carboxylic acid moiety in its biphenyl backbone makes it a versatile intermediate for synthesizing more complex molecules.

The biphenyl core of 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid contributes to its stability and reactivity, enabling it to participate in various chemical transformations. The formyl group (–CHO) at the 4' position is particularly noteworthy, as it serves as a reactive site for condensation reactions, alkylation, and oxidation processes. Meanwhile, the carboxylic acid group (–COOH) at the 3-position allows for further functionalization via esterification, amidation, or decarboxylation pathways. These features make the compound an invaluable building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.

In recent years, 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid has been explored in the development of novel therapeutic agents. Its aromatic structure is reminiscent of several bioactive scaffolds found in natural products and synthetic drugs. For instance, biphenyl derivatives have shown promise in treating neurological disorders due to their ability to interact with specific neurotransmitter receptors. The formyl group on this compound can be leveraged to create Schiff bases or heterocyclic compounds that exhibit potent pharmacological effects.

One of the most exciting applications of 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid lies in its role as a precursor for kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, and their dysregulation is often linked to cancer and inflammatory diseases. By modifying the biphenyl core with appropriate substituents, researchers can design molecules that selectively inhibit aberrant kinase activity. The formyl group provides a handle for introducing linkers or other pharmacophores that enhance binding affinity and selectivity.

Recent studies have also highlighted the compound's utility in material science. The biphenyl structure imparts rigidity and electronic properties suitable for organic semiconductors and light-emitting diodes (OLEDs). Researchers have demonstrated that 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid can be incorporated into π-conjugated systems to improve charge transport properties. This opens up possibilities for developing advanced electronic devices with enhanced performance.

The synthesis of 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid typically involves multi-step organic reactions starting from commercially available biphenyl derivatives. Common methods include formylation reactions such as the Vilsmeier-Haack reaction or oxidation processes using strong oxidants like potassium permanganate or chromium-based reagents. Advances in catalytic systems have also enabled more efficient and environmentally friendly synthetic routes, reducing waste and improving yields.

In terms of handling and storage, 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid should be kept in a cool, dry place away from direct sunlight to prevent degradation. It is advisable to use inert atmospheres such as nitrogen or argon when storing solutions or powders for extended periods. Proper personal protective equipment (PPE), including gloves, goggles, and lab coats, should be worn during handling to minimize exposure risks.

The safety profile of 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid has been assessed through standard toxicological studies. While acute toxicity data suggests moderate reactivity upon ingestion or inhalation exposure, chronic effects remain under investigation. As with many organic compounds used in research settings, prolonged exposure should be minimized by adhering to good laboratory practices (GLPs).

The future prospects for 4'-Formyl-1,1'-biphenyl-3-carboxylic Acid are promising as synthetic chemistry continues to evolve. Innovations in flow chemistry and biocatalysis may offer new pathways for its production at scale. Additionally, computational modeling techniques are being employed to predict novel derivatives with enhanced biological activity before experimental synthesis begins.

In conclusion,4'-Formyl-1,1'-biphenyl-3-carboxylic Acid (CAS No: 222180-20-3) is a multifaceted compound with broad applications across pharmaceuticals and materials science. Its unique structural features make it an excellent candidate for drug discovery efforts aimed at addressing unmet medical needs while also serving as a valuable component in next-generation electronic materials.

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