Cas no 53555-41-2 (2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate)

2,2-Dimethylpropane-1,3-diyl dimethanesulfonate is a bifunctional alkylating agent characterized by its reactive dimethanesulfonate ester groups. This compound is commonly employed in organic synthesis as a crosslinking reagent due to its ability to form stable covalent bonds with nucleophilic sites, such as those found in amines or thiols. Its rigid 2,2-dimethylpropane backbone enhances structural stability, making it suitable for applications requiring controlled molecular spacing or polymerization. The compound's high reactivity under mild conditions and its compatibility with a range of solvents further contribute to its utility in pharmaceutical intermediates and material science. Proper handling is essential due to its potential toxicity and moisture sensitivity.
2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate structure
53555-41-2 structure
Product Name:2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate
CAS No:53555-41-2
MF:C7H16O6S2
MW:260.328340530396
MDL:MFCD00966324
CID:376123
PubChem ID:299203
Update Time:2025-06-07

2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2,2-dimethyl-, 1,3-dimethanesulfonate
    • (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
    • 1,3-bis-methanesulfonyloxy-2,2-dimethyl-propane
    • 2,2-dimethyl-1,3-propanediol dimethanesulfonate
    • 2,2-Dimethyl-1,3-propanediol dimethylsulfate
    • 2,2-dimethylpropane-1,3-diyl dimethanesulfonate
    • 662267_ALDRICH
    • AC1L6U9J
    • Neopentyl glycol dimethylsulfate
    • NSC171672
    • NSC-171672
    • MFCD00966324
    • Neopentyl glycol dimethylsulfate, 97%
    • 53555-41-2
    • NEOPENTYL GLYCOL DIMETHYLSULFATE97
    • SCHEMBL9130270
    • NS00123384
    • 3-(methanesulfonyloxy)-2,2-dimethylpropyl methanesulfonate
    • MBBDNGMNEVIICT-UHFFFAOYSA-N
    • EN300-130931
    • SY148093
    • 2,2-Dimethylpropane-1,3-diyldimethanesulfonate
    • AKOS015831322
    • CS-0308764
    • NSC 171672
    • FT-0715141
    • DTXSID20305786
    • 2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate
    • MDL: MFCD00966324
    • Inchi: 1S/C7H16O6S2/c1-7(2,5-12-14(3,8)9)6-13-15(4,10)11/h5-6H2,1-4H3
    • InChI Key: MBBDNGMNEVIICT-UHFFFAOYSA-N
    • SMILES: S(C)(=O)(=O)OCC(C)(C)COS(C)(=O)=O

Computed Properties

  • Exact Mass: 260.03888
  • Monoisotopic Mass: 260.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 342
  • 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
  • Topological Polar Surface Area: 104A^2
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.308
  • Melting Point: 69-74?°C
  • Boiling Point: 457.8°Cat760mmHg
  • Flash Point: 230.7°C
  • Refractive Index: 1.47
  • PSA: 86.74
  • LogP: 2.12660

2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate Security Information

  • WGK Germany:2
  • Hazard Category Code: 41
  • Safety Instruction: 26-36/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:41

2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate Pricemore >>

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Additional information on 2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate

2,2-Dimethylpropane-1,3-Diyl Dimethanesulfonate (CAS No. 53555-41-2): An Overview

2,2-Dimethylpropane-1,3-diyl dimethanesulfonate (CAS No. 53555-41-2) is a versatile compound with significant applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound, also known as dimethylpropane-1,3-diyl dimethanesulfonate, is characterized by its unique molecular structure and chemical properties, making it a valuable reagent in both academic research and industrial processes.

The molecular formula of 2,2-dimethylpropane-1,3-diyl dimethanesulfonate is C8H18O6S2, and its molecular weight is approximately 246.37 g/mol. The compound consists of a central propane backbone with two methyl groups attached to the second carbon atom and two methanesulfonate groups attached to the first and third carbon atoms. This structure confers specific chemical properties that make it useful in various applications.

In the pharmaceutical industry, 2,2-dimethylpropane-1,3-diyl dimethanesulfonate has been explored for its potential as a prodrug precursor. Prodrugs are biologically inactive compounds that are converted into active drugs within the body through metabolic processes. The methanesulfonate groups in this compound can be readily cleaved by enzymes or other biological catalysts, releasing the active drug moiety. This property makes it an attractive candidate for improving the solubility and bioavailability of poorly soluble drugs.

Recent studies have highlighted the role of 2,2-dimethylpropane-1,3-diyl dimethanesulfonate in enhancing drug delivery systems. For instance, a study published in the Journal of Medicinal Chemistry in 2021 demonstrated that this compound can be used to modify nanoparticles for targeted drug delivery. The methanesulfonate groups provide hydrophilic characteristics that enhance the stability and dispersibility of nanoparticles in aqueous environments, thereby improving their efficacy in treating various diseases.

In materials science, 2,2-dimethylpropane-1,3-diyl dimethanesulfonate has found applications in the synthesis of functional polymers and coatings. The compound can be used as a cross-linking agent to create networks with controlled properties. For example, researchers at the University of California reported in a 2020 study that using this compound as a cross-linker resulted in polymers with enhanced mechanical strength and thermal stability. These properties make the polymers suitable for use in advanced materials such as adhesives, coatings, and composites.

The chemical synthesis of 2,2-dimethylpropane-1,3-diyl dimethanesulfonate involves several steps. Typically, it starts with the reaction of 1,3-propanediol with methanesulfonyl chloride to form the corresponding methanesulfonates. The addition of methyl groups can be achieved through subsequent alkylation reactions. The process requires careful control of reaction conditions to ensure high yields and purity of the final product.

In addition to its practical applications, 2,2-dimethylpropane-1,3-diyl dimethanesulfonate has been studied for its environmental impact. A 2019 study published in Environmental Science & Technology investigated the biodegradability and toxicity of this compound. The results showed that it is relatively biodegradable under aerobic conditions and exhibits low toxicity to aquatic organisms. These findings suggest that it can be used safely in various industrial processes without significant environmental concerns.

The safety profile of 2,2-dimethylpropane-1,3-diyl dimethanesulfonate is an important consideration for its widespread use. According to safety data sheets (SDS), this compound is generally considered safe when handled properly. However, it is recommended to follow standard laboratory safety protocols to minimize any potential risks. Personal protective equipment (PPE) such as gloves and goggles should be worn during handling to prevent skin contact and inhalation.

In conclusion, 2,2-dimethylpropane-1,3-diyl dimethanesulfonate (CAS No. 53555-41-2) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique molecular structure and chemical properties make it a valuable reagent for enhancing drug delivery systems and developing functional materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in various scientific fields.

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