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1,3,2-DIOXATHIANE 2,2-DIOXIDE

Short Description:

  • Chemical Name:Trimethylene sulfate
  • CAS No.:1073-05-8
  • Molecular Formula:C3H6 O4 S
  • Molecular Weight:138.144
  • Hs Code.:2934999090
  • European Community (EC) Number:214-022-5
  • NSC Number:526595
  • UNII:U6R4I8LVEF
  • DSSTox Substance ID:DTXSID4061460
  • Nikkaji Number:J50.789J,J3.263.010C
  • Wikidata:Q27290765
  • Mol file:1073-05-8.mol

Product Detail

Product Tags

1,3,2-DIOXATHIANE 2,2-DIOXIDE 1073-05-8

Synonyms:1073-05-8;Trimethylene sulfate;1,3,2-Dioxathiane 2,2-dioxide;1,3,2-dioxathiane-2,2-dione;1,3-Propylene sulfate;1,3-Propanediol cyclic sulfate;1,3,2-Dioxathiane, 2,2-dioxide;1,3-Propanediol, cyclic sulfate;NSC 526595;EINECS 214-022-5;UNII-U6R4I8LVEF;U6R4I8LVEF;BRN 0774775;1,3,2-DIOXATHIANE2,2-DIOXIDE;C3H6O4S;1,3-Propanediol, cyclic sulphate;[1,3,2]dioxathiane 2,2-dioxide;NSC526595;NSC-526595;3-01-00-02161 (Beilstein Handbook Reference);1,3-propylene sulphate;TRIMETHYLENE SULPHATE;SCHEMBL51770;DTXSID4061460;PROPANO-1,3-DIYL SULFATE;PROPYLENE SULFATE, 1,3-;PROPANO-1,3-DIYL SULPHATE;PROPYLENE SULPHATE, 1,3-;1,3,2lambda-dioxathiane-2,2-dione;MFCD00801144;Sulfuric acid 1,3-propanediyl ester;1,3,2lambda6-dioxathiane-2,2-dione;AKOS015907881;1,3-Propanediol cyclic sulfate, 98%;BS-30033;LS-120298;CS-0204556;D4427;FT-0707060;F20412;EN300-1725068;W-108753;Q27290765

Chemical Property of 1,3,2-DIOXATHIANE 2,2-DIOXIDE

● Appearance/Colour:White Crystal Powder
● Vapor Pressure:0.0589mmHg at 25°C
● Melting Point:58-62ºC
● Refractive Index:1.5500 (estimate)
● Boiling Point:240.4ºC at 760 mmHg
● Flash Point:99.2ºC
● PSA60.98000
● Density:1.452 g/cm3
● LogP:0.74890

● XLogP3:-0.2
● Hydrogen Bond Donor Count:0
● Hydrogen Bond Acceptor Count:4
● Rotatable Bond Count:0
● Exact Mass:137.99867984
● Heavy Atom Count:8
● Complexity:141

Safty Information

● Pictogram(s): XnXn
● Hazard Codes:Xn
● Statements:40
● Safety Statements:22-36

Useful

Chemical Classes:Other Classes -> Sulfur Compounds
Canonical SMILES:C1COS(=O)(=O)OC1
Uses:1,3,2-Dioxathiane 2,2-Dioxide is a reagent used in the synthesis of deoxy salacinols via coupling reaction.

Detailed Introduction

1,3,2-Dioxathiane 2,2-dioxide is a heterocyclic compound with the chemical formula C3H6O2S2. It is also known as dithiane dioxide or dioxidane. The compound consists of a six-membered ring with three carbon atoms, one oxygen atom, and two sulfur atoms.
Dithiane dioxide has an interesting structure and reactivity due to the presence of sulfur and oxygen atoms in the ring. It is widely used as a versatile building block and intermediate in organic synthesis. The compound is primarily utilized for its ability to undergo various chemical reactions, making it a valuable resource in the development of organic compounds.
One particular application of 1,3,2-dioxathiane 2,2-dioxide is its use in the synthesis of sulfur-containing organic molecules. It can act as a suitable precursor for the preparation of various heterocyclic compounds. The compound readily participates in nucleophilic additions, ring-opening reactions, and oxidations, making it a versatile tool in organic chemistry.
Additionally, dithiane dioxide plays a significant role in the field of medicinal chemistry. Some derivatives of this compound have demonstrated antimicrobial and antifungal activities, therefore, they are of interest in developing potential therapeutic agents.
The unique structure and reactivity patterns of 1,3,2-dioxathiane 2,2-dioxide make it an essential compound in organic synthesis and medicinal chemistry research. Its versatility in various chemical reactions and potential biological activities make it an attractive target for further exploration and application.

Application

1,3,2-Dioxathiane 2,2-dioxide has several applications in different fields. Some of its notable applications include:
Organic Synthesis: Dithiane dioxide is commonly used as a versatile building block and intermediate in organic synthesis. It can undergo various chemical reactions, such as nucleophilic additions, ring-opening reactions, and oxidations. These reactions enable the synthesis of a wide range of complex organic molecules.
Drug Discovery: Dithiane dioxide and its derivatives are of interest in the field of drug discovery due to their potential biological activities. Some derivatives have shown antimicrobial and antifungal properties, making them candidates for the development of new therapeutics.
Metal Coordination Chemistry: Dithiane dioxide can act as a chelating ligand, forming stable coordination complexes with various transition metal ions. These complexes find applications in catalysis, inorganic chemistry, and materials science.
Molecular Sensors: Dithiane dioxide derivatives have been explored for their sensing capabilities. By incorporating specific functional groups, they can detect target analytes through changes in their optical, electrochemical, or fluorescent properties. This makes them useful in the development of molecular sensors for various applications, including environmental monitoring and biomedical diagnostics.
Polymer Chemistry: Dithiane dioxide can be used as a monomer for the synthesis of polymer materials. Its incorporation in polymer chains can provide unique properties, such as increased flexibility or improved chemical stability.
Overall, the applications of 1,3,2-dioxathiane 2,2-dioxide span across different fields, including organic synthesis, drug discovery, metal coordination chemistry, molecular sensing, and polymer chemistry.Its diverse reactivity and structure make it a valuable compound for scientists and researchers in various disciplines.


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