Cas no 1466312-19-5 (1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid)

1-(Butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid is a specialized organic compound featuring a cyclobutane core substituted with a carboxylic acid group and a thioether linkage at the 1-position. The presence of the butan-2-ylsulfanyl moiety enhances its lipophilicity, while the methyl group at the 3-position introduces steric influence, potentially affecting reactivity and conformational stability. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for applications requiring tailored steric and electronic properties. Its carboxylic acid functionality allows for further derivatization, enabling its use in pharmaceuticals, agrochemicals, or material science. The compound’s balanced polarity and structural rigidity may also contribute to its utility in ligand design or as a building block for complex molecular architectures.
1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid structure
1466312-19-5 structure
Product Name:1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid
CAS No:1466312-19-5
MF:C10H18O2S
MW:202.313722133636
CID:6206075
PubChem ID:65137329
Update Time:2025-10-22

1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid
    • AKOS014470584
    • 1-(Sec-butylthio)-3-methylcyclobutane-1-carboxylic acid
    • EN300-1122290
    • CS-0288382
    • 1466312-19-5
    • Inchi: 1S/C10H18O2S/c1-4-8(3)13-10(9(11)12)5-7(2)6-10/h7-8H,4-6H2,1-3H3,(H,11,12)
    • InChI Key: JPVZMWQZLSWINP-UHFFFAOYSA-N
    • SMILES: S(C(C)CC)C1(C(=O)O)CC(C)C1

Computed Properties

  • Exact Mass: 202.10275099g/mol
  • Monoisotopic Mass: 202.10275099g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 197
  • 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: 2.9
  • Topological Polar Surface Area: 62.6?2

1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid Pricemore >>

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Additional information on 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid

Comprehensive Overview of 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid (CAS No. 1466312-19-5)

1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid (CAS No. 1466312-19-5) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry, agrochemical research, and material science. This compound features a unique cyclobutane ring structure substituted with a butan-2-ylsulfanyl group and a carboxylic acid functionality, making it a versatile intermediate for synthesizing more complex molecules. Its molecular formula, C10H18O2S, highlights its potential for applications requiring sulfur-containing moieties, which are increasingly sought after in drug discovery and sustainable chemistry.

In recent years, the demand for sulfur-functionalized cyclobutane derivatives like 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid has surged due to their role in developing bioactive compounds. Researchers are particularly interested in its potential as a pharmacophore or building block for designing novel therapeutics targeting inflammation, metabolic disorders, and infectious diseases. The compound’s carboxylic acid group also allows for further derivatization, enabling the creation of esters, amides, or other derivatives with tailored properties.

From an industrial perspective, 1466312-19-5 is valued for its utility in green chemistry initiatives. Its structural features align with the principles of atom economy and reduced environmental impact, making it a candidate for sustainable synthesis routes. Additionally, the compound’s methylcyclobutane core offers steric constraints that can influence reaction selectivity, a property leveraged in asymmetric catalysis and polymer science.

Analytical characterization of 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These methods confirm its structural integrity and purity, which are critical for research and industrial applications. The compound’s stability under various conditions is another area of interest, with studies focusing on its behavior in aqueous and organic solvents.

Emerging trends in AI-driven drug discovery have further highlighted the importance of compounds like 1466312-19-5. Computational models often identify sulfur-containing cyclobutanes as high-value scaffolds due to their balanced lipophilicity and conformational rigidity. This aligns with frequent search queries such as "sulfur-based drug intermediates" or "cyclobutane carboxylic acid applications," reflecting growing curiosity in niche chemical spaces.

In summary, 1-(butan-2-ylsulfanyl)-3-methylcyclobutane-1-carboxylic acid represents a compelling case study at the intersection of synthetic chemistry and applied science. Its multifaceted utility—spanning pharmaceuticals, agrochemicals, and materials—positions it as a compound of enduring relevance. As research continues to uncover new applications, its role in advancing sustainable and precision chemistry is expected to expand, answering pressing questions in both academic and industrial settings.

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