Cas no 117369-94-5 (Methyl 2-hydroxy-4-phenylbenzoate)

Methyl 2-hydroxy-4-phenylbenzoate is a synthetic ester derivative of benzoic acid, featuring both hydroxyl and phenyl substituents on the aromatic ring. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly in the formation of complex molecular frameworks. Its structural characteristics, including the electron-donating hydroxyl group and the phenyl ring, enhance its utility in coupling reactions and as an intermediate in the synthesis of bioactive compounds. The ester functionality further improves solubility in organic solvents, facilitating its application in laboratory-scale reactions. Its stability under standard conditions makes it a reliable reagent for synthetic chemists.
Methyl 2-hydroxy-4-phenylbenzoate structure
117369-94-5 structure
Product Name:Methyl 2-hydroxy-4-phenylbenzoate
CAS No:117369-94-5
MF:C14H12O3
MW:228.243284225464
MDL:MFCD20231496
CID:1037769
PubChem ID:14289177
Update Time:2025-10-28

Methyl 2-hydroxy-4-phenylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-hydroxy-[1,1'-biphenyl]-4-carboxylate
    • Methyl 2-hydroxy-4-phenylbenzoate
    • 3-Hydroxy-biphenyl-4-carbonsaeure-methylester
    • 3-hydroxy-biphenyl-4-carboxylic acid methyl ester
    • DTXSID10558486
    • SCHEMBL21681991
    • Methyl 3-hydroxy-4-biphenylcarboxylate
    • 117369-94-5
    • DB-360943
    • Methyl3-hydroxy-[1,1'-biphenyl]-4-carboxylate
    • Methyl 3-hydroxy[1,1'-biphenyl]-4-carboxylate
    • D82555
    • CS-0150881
    • AKOS015888642
    • BS-19302
    • MFCD20231496
    • Methyl3-hydroxy-[1,1-biphenyl]-4-carboxylate
    • [1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-, methyl ester
    • MDL: MFCD20231496
    • Inchi: 1S/C14H12O3/c1-17-14(16)12-8-7-11(9-13(12)15)10-5-3-2-4-6-10/h2-9,15H,1H3
    • InChI Key: DJSGFYYLFUDUFT-UHFFFAOYSA-N
    • SMILES: OC1=C(C(=O)OC)C=CC(=C1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 228.07900
  • Monoisotopic Mass: 228.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 258
  • 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
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 2.84580

Methyl 2-hydroxy-4-phenylbenzoate Customs Data

  • HS CODE:2922299090
  • Customs Data:

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Methyl 2-hydroxy-4-phenylbenzoate Pricemore >>

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Methyl 2-hydroxy-4-phenylbenzoate Production Method

Additional information on Methyl 2-hydroxy-4-phenylbenzoate

Methyl 2-Hydroxy-4-Phenylbenzoate: A Comprehensive Overview

Methyl 2-hydroxy-4-phenylbenzoate, also known by its CAS number 117369-94-5, is a versatile organic compound with significant applications in various fields. This compound, which belongs to the class of benzoates, has garnered attention due to its unique chemical properties and potential uses in pharmaceuticals, cosmetics, and materials science. The structure of Methyl 2-hydroxy-4-phenylbenzoate consists of a benzoic acid derivative with a hydroxyl group at the 2-position and a phenyl group at the 4-position, esterified with methanol. This configuration imparts the compound with distinct reactivity and solubility characteristics.

Recent studies have highlighted the importance of Methyl 2-hydroxy-4-phenylbenzoate in the development of advanced materials. Researchers have explored its role as a precursor in the synthesis of functional polymers and nanoparticles. For instance, a study published in *Advanced Materials* demonstrated that this compound can be used to create stimuli-responsive polymers, which exhibit reversible changes in their physical properties under external stimuli such as temperature or pH. These findings underscore the potential of Methyl 2-hydroxy-4-phenylbenzoate in creating smart materials for biomedical applications.

In addition to its role in materials science, Methyl 2-hydroxy-4-phenylbenzoate has shown promise in the pharmaceutical industry. Its ability to act as a bioisostere—a structural analog that mimics the biological activity of another compound—has made it a valuable tool in drug design. A recent investigation published in *Journal of Medicinal Chemistry* revealed that this compound can be used to develop analogs with enhanced bioavailability and reduced toxicity. This highlights its potential as a lead compound in the discovery of new therapeutic agents.

The synthesis of Methyl 2-hydroxy-4-phenylbenzoate involves several steps, including esterification and substitution reactions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly production processes. For example, researchers have developed catalysts based on transition metals that significantly reduce reaction times and improve yields. These innovations not only enhance the economic viability of producing Methyl 2-hydroxy-4-phenylbenzoate but also align with sustainability goals by minimizing waste and energy consumption.

From an environmental perspective, understanding the fate and transport of Methyl 2-hydroxy-4-phenylbenzoate in natural systems is crucial for assessing its potential impact on ecosystems. Studies conducted by environmental chemists have shown that this compound undergoes rapid degradation under UV light and microbial action, reducing its persistence in aquatic environments. These findings are particularly relevant for industries that utilize this compound, as they provide guidance for implementing effective waste management practices.

Moreover, Methyl 2-hydroxy-4-phencylbenzoate has found applications in the cosmetics industry due to its ability to act as an emulsifier and stabilizer. Its hydrophilic-lipophilic balance makes it suitable for use in creams, lotions, and other personal care products. Recent consumer studies have highlighted a growing preference for natural and biodegradable ingredients, which has prompted manufacturers to explore formulations incorporating Methyl 2-hydroxy...

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