Cas no 34693-41-9 (2-(tert-Butyl)isothiazolidine 1,1-dioxide)

2-(tert-Butyl)isothiazolidine 1,1-dioxide is a sulfonamide derivative characterized by its stable isothiazolidine dioxide core and sterically hindered tert-butyl substituent. This compound is of interest in organic synthesis and medicinal chemistry due to its potential as a versatile intermediate or building block. The 1,1-dioxide moiety enhances electrophilic reactivity, while the tert-butyl group contributes to steric control in reactions. Its structural features make it suitable for applications in the development of pharmacologically active molecules or functional materials. The compound exhibits good thermal stability and solubility in common organic solvents, facilitating its handling in laboratory settings. Further research explores its utility in asymmetric synthesis and as a precursor for sulfonamide-based scaffolds.
2-(tert-Butyl)isothiazolidine 1,1-dioxide structure
34693-41-9 structure
Product Name:2-(tert-Butyl)isothiazolidine 1,1-dioxide
CAS No:34693-41-9
MF:C7H15NO2S
MW:177.2645008564
CID:853108
PubChem ID:21132146
Update Time:2025-05-20

2-(tert-Butyl)isothiazolidine 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)isothiazolidine 1,1-dioxide
    • N-t-Butyl-1,3-propanesultam
    • 2-tert-butyl-1,2-thiazolidine 1,1-dioxide
    • N-T-BUTYL 1,1-DIOXO-ISOTHIAZOLIDINE
    • 34693-41-9
    • 2-tert-butyl-1lambda,2-thiazolidine-1,1-dione
    • 2-tert-Butyl-1lambda~6~,2-thiazolidine-1,1-dione
    • N-tert-Butyl-1,3-propanesultam
    • 2-(tert-Butyl)isothiazolidine1,1-dioxide
    • DTXSID20610928
    • 2-tert-butyl-1,2-thiazolidine-1,1-dione
    • AKOS006307886
    • MFCD11053793
    • 2-TERT-BUTYL-1??,2-THIAZOLIDINE-1,1-DIONE
    • CS-0451462
    • N-tert-butyl-1,1-dioxo-isothiazolidine
    • DB-255841
    • SCHEMBL123232
    • BS-22769
    • MDL: N183894
    • Inchi: 1S/C7H15NO2S/c1-7(2,3)8-5-4-6-11(8,9)10/h4-6H2,1-3H3
    • InChI Key: COUNGRLYRIRQRC-UHFFFAOYSA-N
    • SMILES: S1(CCCN1C(C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 177.08200
  • Monoisotopic Mass: 177.08234989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 232
  • 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: 0.6
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.76000
  • LogP: 1.83910

2-(tert-Butyl)isothiazolidine 1,1-dioxide Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-(tert-Butyl)isothiazolidine 1,1-dioxide Pricemore >>

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2-(tert-Butyl)isothiazolidine 1,1-dioxide Production Method

Additional information on 2-(tert-Butyl)isothiazolidine 1,1-dioxide

Comprehensive Overview of 2-(tert-Butyl)isothiazolidine 1,1-dioxide (CAS No. 34693-41-9): Properties, Applications, and Industry Trends

2-(tert-Butyl)isothiazolidine 1,1-dioxide (CAS No. 34693-41-9) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This sulfone derivative, characterized by its isothiazolidine dioxide core and tert-butyl substituent, exhibits remarkable stability and reactivity, making it a valuable intermediate in synthetic chemistry. Recent advancements in heterocyclic compound applications have spurred interest in this molecule, particularly for its potential in drug discovery and material science.

The compound's molecular structure combines a saturated five-membered ring with two oxygen atoms doubly bonded to sulfur (sulfone group), creating distinct electronic properties that influence its chemical behavior. Researchers are particularly interested in how the steric effects of the tert-butyl group affect the molecule's interactions in various reaction systems. Current studies focus on its role as a building block for more complex structures, with applications ranging from specialty polymers to bioactive molecules.

In the pharmaceutical sector, 2-(tert-Butyl)isothiazolidine 1,1-dioxide has shown promise as a precursor for novel therapeutic agents. Its structural motifs appear in several drug candidates targeting inflammatory pathways and neurological disorders. The compound's stability under physiological conditions makes it particularly attractive for medicinal chemistry applications, addressing the growing demand for metabolically stable drug components in the pharmaceutical industry.

From an industrial perspective, the synthesis and handling of CAS 34693-41-9 have become topics of significant discussion among chemical manufacturers. Recent innovations in green chemistry approaches have led to more sustainable production methods for such specialty chemicals, aligning with global trends toward environmentally friendly manufacturing processes. The compound's compatibility with various catalytic systems makes it suitable for diverse synthetic applications while minimizing waste generation.

Analytical characterization of 2-(tert-Butyl)isothiazolidine 1,1-dioxide typically involves advanced techniques such as NMR spectroscopy and mass spectrometry, which provide detailed information about its molecular structure and purity. These analytical methods are crucial for quality control in commercial production, especially when the compound is intended for high-value applications. The development of reliable analytical protocols for this and similar compounds remains an active area of research in analytical chemistry.

Market trends indicate growing demand for specialty chemicals like 34693-41-9, particularly in regions with strong pharmaceutical and agrochemical industries. Manufacturers are responding by optimizing production scales and improving purification techniques to meet the increasing quality requirements of end-users. The compound's shelf stability and handling characteristics make it suitable for global distribution, though proper storage conditions must be maintained to preserve its chemical integrity.

Future research directions for 2-(tert-Butyl)isothiazolidine 1,1-dioxide may explore its potential in emerging fields such as materials science and catalysis. Preliminary studies suggest possible applications in polymer modification and as a ligand in transition metal catalysis. As synthetic methodologies continue to advance, the versatility of this compound is expected to lead to new discoveries across multiple scientific disciplines.

Regulatory considerations for CAS 34693-41-9 vary by jurisdiction, but generally follow standard chemical safety protocols. Proper material safety data documentation and handling procedures are essential for laboratories and production facilities working with this compound. The growing emphasis on chemical safety in industrial settings has led to improved guidelines for working with such specialized organic molecules.

In academic circles, isothiazolidine dioxide derivatives have become subjects of theoretical studies examining their electronic properties and reaction mechanisms. Computational chemistry approaches are being employed to predict the behavior of 2-(tert-Butyl)isothiazolidine 1,1-dioxide in various chemical environments, potentially accelerating its application development. These theoretical insights complement experimental findings and contribute to a more comprehensive understanding of the compound's capabilities.

The commercial availability of 34693-41-9 from specialty chemical suppliers has facilitated broader research into its applications. Custom synthesis options and various purity grades allow researchers to select the most appropriate form for their specific needs. As interest in this compound grows, suppliers are expanding their product portfolios to include related derivatives and analogs, creating new opportunities for chemical innovation.

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