Cas no 1111120-93-4 (Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate)

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate is a fluorinated aromatic ester featuring both formyl and hydroxyl functional groups, making it a versatile intermediate in organic synthesis. Its structural properties, including the electron-withdrawing fluorine atom and the reactive aldehyde group, facilitate its use in cross-coupling reactions, pharmaceutical derivatization, and material science applications. The presence of the hydroxyl group enhances solubility in polar solvents, while the ester moiety provides stability under various reaction conditions. This compound is particularly valuable in the development of bioactive molecules and advanced polymers, where precise functional group manipulation is required. Its well-defined reactivity profile ensures consistent performance in synthetic workflows.
Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate structure
1111120-93-4 structure
Product Name:Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate
CAS No:1111120-93-4
MF:C15H11FO4
MW:274.243848085403
MDL:MFCD11871005
CID:1202810
PubChem ID:53220571
Update Time:2025-08-05

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate
    • 1111120-93-4
    • DTXSID50685301
    • 4-(2-Fluoro-4-methoxycarbonylphenyl)-2-formylphenol, 95%
    • Methyl 2-fluoro-3'-formyl-4'-hydroxy[1,1'-biphenyl]-4-carboxylate
    • 4-(2-FLUORO-4-METHOXYCARBONYLPHENYL)-2-FORMYLPHENOL
    • MFCD11871005
    • MDL: MFCD11871005
    • Inchi: 1S/C15H11FO4/c1-20-15(19)10-2-4-12(13(16)7-10)9-3-5-14(18)11(6-9)8-17/h2-8,18H,1H3
    • InChI Key: MPPOFTKYTXTISW-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C=CC=1C1C=CC(=C(C=O)C=1)O

Computed Properties

  • Exact Mass: 274.06413699g/mol
  • Monoisotopic Mass: 274.06413699g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 360
  • 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: 4.1
  • Topological Polar Surface Area: 63.6?2

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320998-5 g
4-(2-Fluoro-4-methoxycarbonylphenyl)-2-formylphenol, 95%; .
1111120-93-4 95%
5 g
€1,159.00 2023-07-19
abcr
AB320998-5g
4-(2-Fluoro-4-methoxycarbonylphenyl)-2-formylphenol, 95%; .
1111120-93-4 95%
5g
€1159.00 2025-04-22

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate Related Literature

Additional information on Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate (CAS No. 1111120-93-4): A Comprehensive Overview

Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate (CAS No. 1111120-93-4) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, characterized by its unique structural and chemical properties, holds promise in various applications, particularly in the synthesis of bioactive molecules and the exploration of novel therapeutic pathways.

The molecular structure of Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate consists of a benzoate core substituted with a 3-fluorophenyl group and a 3-formyl-4-hydroxyphenyl moiety. This configuration imparts distinct reactivity and functionality, making it a valuable intermediate in organic synthesis. The presence of both hydroxyl and formyl groups provides multiple sites for chemical modification, enabling the development of diverse derivatives with tailored biological activities.

In recent years, there has been a growing interest in exploring the pharmacological potential of compounds containing fluoro substituents. The fluorine atom, due to its electronegativity and ability to influence metabolic stability, binding affinity, and pharmacokinetic properties, has become a cornerstone in drug design. The incorporation of a fluoro group into the benzene ring of Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate enhances its interaction with biological targets, potentially leading to improved therapeutic efficacy.

The hydroxyl and formyl groups in this compound also play crucial roles in its reactivity. The formyl group can participate in condensation reactions, forming Schiff bases or other heterocyclic structures, which are common motifs in medicinal chemistry. These reactions can be leveraged to create complex molecular architectures with enhanced biological activity. Additionally, the hydroxyl group can engage in hydrogen bonding interactions, influencing the compound's solubility and binding affinity to biological receptors.

Recent studies have highlighted the importance of Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate as a key intermediate in the synthesis of novel therapeutic agents. Researchers have demonstrated its utility in developing compounds with potential applications in oncology, anti-inflammatory therapy, and neuroprotection. For instance, derivatives of this compound have shown promising results in inhibiting specific enzymes involved in cancer cell proliferation and survival. These findings underscore the compound's significance as a building block for innovative drug discovery.

The synthesis of Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and selective functionalization techniques, have been employed to achieve high yields and purity. These synthetic strategies not only enhance the efficiency of production but also allow for the introduction of additional functional groups, further expanding the compound's utility.

In addition to its pharmaceutical applications, Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate has shown potential in materials science research. Its unique structural features make it a suitable candidate for developing advanced materials with tailored optical and electronic properties. For example, derivatives of this compound have been explored as components in organic light-emitting diodes (OLEDs) and other optoelectronic devices due to their ability to absorb and emit light efficiently.

The growing body of research on Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate underscores its versatility and importance across multiple scientific disciplines. As our understanding of its chemical properties and biological activities continues to expand, new opportunities for innovation are likely to emerge. Future studies may focus on optimizing synthetic routes, exploring novel derivatives, and evaluating their potential therapeutic applications through preclinical and clinical trials.

In conclusion, Methyl 3-fluoro-4-(3-formyl-4-hydroxyphenyl)benzoate (CAS No. 1111120-93-4) is a multifaceted compound with significant implications in pharmaceuticals and materials science. Its unique structural features and reactivity make it a valuable tool for researchers seeking to develop innovative treatments and advanced materials. As ongoing research continues to uncover new possibilities for this compound, its role in science and technology is expected to grow even further.

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