Cas no 52703-96-5 (methyl 2-hydroxy-4-(methylsulfanyl)butanoate)

Methyl 2-hydroxy-4-(methylsulfanyl)butanoate is a sulfur-containing ester with applications in organic synthesis and pharmaceutical intermediates. Its structure combines a hydroxyl group and a methylsulfanyl moiety, offering reactivity for further functionalization. The compound is valued for its role in producing chiral building blocks and bioactive molecules due to its stereogenic center. Its moderate polarity and solubility in common organic solvents enhance its utility in synthetic workflows. The methylsulfanyl group provides a handle for nucleophilic substitution or oxidation, while the ester functionality allows for hydrolysis or transesterification. This versatility makes it a useful intermediate in fine chemical and agrochemical research.
methyl 2-hydroxy-4-(methylsulfanyl)butanoate structure
52703-96-5 structure
Product Name:methyl 2-hydroxy-4-(methylsulfanyl)butanoate
CAS No:52703-96-5
MF:C6H12O3S
MW:164.222681045532
MDL:MFCD16693854
CID:359069
PubChem ID:10261421
Update Time:2025-06-13

methyl 2-hydroxy-4-(methylsulfanyl)butanoate Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-hydroxy-4-(methylthio)-, methyl ester
    • methyl 2-hydroxy-4-methylsulfanylbutanoate
    • 52703-96-5
    • methyl 2-hydroxy-4-(methylsulfanyl)butanoate
    • SCHEMBL3928355
    • EN300-221524
    • AKOS011496090
    • 2-Hydroxy-4-methylmercaptobutyric acid, Methyl Ester
    • ZNICVDUAZVFBFJ-UHFFFAOYSA-N
    • CCA70396
    • methyl2-hydroxy-4-(methylsulfanyl)butanoate
    • DTXSID00437433
    • Racemic Methyl 2-Hydroxy-4-(methylthio)butyrate
    • MDL: MFCD16693854
    • Inchi: 1S/C6H12O3S/c1-9-6(8)5(7)3-4-10-2/h5,7H,3-4H2,1-2H3
    • InChI Key: ZNICVDUAZVFBFJ-UHFFFAOYSA-N
    • SMILES: S(C)CCC(C(=O)OC)O

Computed Properties

  • Exact Mass: 164.05076
  • Monoisotopic Mass: 164.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • PSA: 46.53

methyl 2-hydroxy-4-(methylsulfanyl)butanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B587738-10mg
methyl 2-hydroxy-4-(methylsulfanyl)butanoate
52703-96-5
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$ 70.00 2022-06-07
TRC
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$ 230.00 2022-06-07
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Additional information on methyl 2-hydroxy-4-(methylsulfanyl)butanoate

Recent Advances in the Study of Methyl 2-hydroxy-4-(methylsulfanyl)butanoate (CAS: 52703-96-5) in Chemical Biology and Pharmaceutical Research

Methyl 2-hydroxy-4-(methylsulfanyl)butanoate (CAS: 52703-96-5) is a sulfur-containing compound that has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various applications, including drug development, metabolic engineering, and agricultural chemistry. Recent studies have focused on elucidating its biological activities, synthetic pathways, and potential therapeutic benefits, making it a compound of considerable interest to researchers and industry professionals alike.

One of the key areas of research involving methyl 2-hydroxy-4-(methylsulfanyl)butanoate is its role as a precursor or intermediate in the synthesis of biologically active molecules. Recent publications have highlighted its utility in the production of sulfur-containing amino acids and peptides, which are critical for various physiological processes. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its effectiveness as a building block in the synthesis of novel antimicrobial agents, showcasing its potential in addressing antibiotic resistance.

Another significant development is the exploration of methyl 2-hydroxy-4-(methylsulfanyl)butanoate in metabolic engineering. Researchers have successfully incorporated this compound into microbial pathways to enhance the production of valuable metabolites. A groundbreaking study in Nature Chemical Biology (2023) reported the engineering of Escherichia coli strains to produce high yields of this compound, paving the way for scalable and cost-effective production methods. This advancement is particularly relevant for the pharmaceutical industry, where efficient synthesis of such intermediates is crucial for drug development.

In addition to its synthetic applications, methyl 2-hydroxy-4-(methylsulfanyl)butanoate has been investigated for its potential therapeutic effects. Preliminary studies suggest that it may exhibit antioxidant and anti-inflammatory properties, making it a candidate for the treatment of oxidative stress-related diseases. A recent in vitro study published in Bioorganic & Medicinal Chemistry Letters (2024) demonstrated its ability to scavenge free radicals and reduce inflammatory markers in cell cultures, providing a foundation for further preclinical research.

The agricultural sector has also shown interest in this compound due to its potential as a plant growth regulator and pesticide. Field trials conducted in 2023 revealed that methyl 2-hydroxy-4-(methylsulfanyl)butanoate could enhance crop yield and resistance to certain pathogens, offering a sustainable alternative to traditional agrochemicals. These findings were detailed in a report by the Journal of Agricultural and Food Chemistry, highlighting the compound's versatility across multiple industries.

Despite these promising developments, challenges remain in the widespread adoption of methyl 2-hydroxy-4-(methylsulfanyl)butanoate. Issues such as stability, bioavailability, and regulatory approval need to be addressed through further research. Collaborative efforts between academia and industry will be essential to overcome these hurdles and fully realize the compound's potential. Future studies are expected to focus on optimizing synthetic routes, exploring additional biological activities, and conducting rigorous safety assessments.

In conclusion, methyl 2-hydroxy-4-(methylsulfanyl)butanoate (CAS: 52703-96-5) represents a versatile and valuable compound in the realms of chemical biology and pharmaceutical research. Its diverse applications, from drug development to agriculture, underscore its importance in addressing contemporary scientific and industrial challenges. As research continues to unfold, this compound is poised to play a pivotal role in advancing innovation across multiple disciplines.

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