Description

4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide (CAS No. 4440-89-5) is a high-purity cyclic sulfate compound with the molecular formula C₄H₈O₄S. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity as a sulfating agent. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a white to off-white crystalline solid with excellent stability under recommended storage conditions (2-8°C, inert atmosphere). Each batch is accompanied by comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Available in convenient packaging options from 1g to 1kg scales, this compound is ideal for researchers requiring precise control over sulfation reactions.

Properties

• CAS Number: 4440-89-5
• Complexity: 173
• IUPAC Name: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
• InChI: InChI=1S/C4H8O4S/c1-3-4(2)8-9(5,6)7-3/h3-4H,1-2H3
• InChI Key: POVNYOLUWDFQOZ-UHFFFAOYSA-N
• Exact Mass: 152.01432991
• Molecular Formula: C4H8O4S
• Molecular Weight: 152.17
• SMILES: CC1C(OS(=O)(=O)O1)C
• Topological: 61
• Monoisotopic Mass: 152.01432991
• Synonyms: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide, 4440-89-5, NSC522191, starbld0002112, 2,3-Butanediol Cyclic Sulfate, SCHEMBL2547953, DTXSID20325964, NSC 522191, NSC-522191, DB-194849, 4,5-Dimethyl-1,3,2-dioxathiolane2,2-dioxide, 4,5-Dimethyl-1,3,2lambda~6~-dioxathiolane-2,2-dione

Application

This cyclic sulfate derivative serves as a versatile building block in organic synthesis, particularly for introducing sulfate groups under mild conditions. Researchers employ it in the development of sulfate ester prodrugs due to its selective reactivity with hydroxyl groups. The compound has shown utility in polymer chemistry for creating sulfated materials with modified surface properties. Its stability and predictable decomposition kinetics make it valuable for controlled release applications in medicinal chemistry.

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