Cas no 10489-30-2 (6-Heptyn-2-ol, 4-methylbenzenesulfonate)

6-Heptyn-2-ol, 4-methylbenzenesulfonate is a specialized organic compound featuring both alkyne and sulfonate functional groups. The presence of the heptynol moiety provides reactivity for further functionalization, while the 4-methylbenzenesulfonate (tosylate) group enhances its utility as a leaving group in substitution reactions. This compound is particularly valuable in synthetic organic chemistry for constructing complex molecular architectures, including alkynyl derivatives and heterocycles. Its stability under standard conditions and well-defined reactivity profile make it a reliable intermediate for nucleophilic displacement and cross-coupling reactions. The tosylate group also facilitates purification and characterization, ensuring consistent performance in laboratory-scale and industrial applications.
6-Heptyn-2-ol, 4-methylbenzenesulfonate structure
10489-30-2 structure
Product Name:6-Heptyn-2-ol, 4-methylbenzenesulfonate
CAS No:10489-30-2
MF:C14H18O3S
MW:266.355923175812
CID:1146208
Update Time:2025-06-07

6-Heptyn-2-ol, 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • 6-Heptyn-2-ol, 4-methylbenzenesulfonate
    • hept-6-yn-2-ol,4-methylbenzenesulfonic acid
    • 6-Heptyn-2-ol, 2-(4-methylbenzenesulfonate)
    • Inchi: 1S/C14H18O3S/c1-4-5-6-7-13(3)17-18(15,16)14-10-8-12(2)9-11-14/h1,8-11,13H,5-7H2,2-3H3
    • InChI Key: HBTZSERUKFBJSN-UHFFFAOYSA-N
    • SMILES: CC(OS(C1=CC=C(C)C=C1)(=O)=O)CCCC#C

Computed Properties

  • Exact Mass: 284.1083

Experimental Properties

  • Density: 1.123±0.06 g/cm3(Predicted)
  • Boiling Point: 390.4±25.0 °C(Predicted)
  • PSA: 74.6

6-Heptyn-2-ol, 4-methylbenzenesulfonate Pricemore >>

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Enamine
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Enamine
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Enamine
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Enamine
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