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CAS 133868-47-0

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1,2,3-Propanetriol, 2-methyl-, 1-(4-methylbenzenesulfonate), (R)-

Description:
1,2,3-Propanetriol, 2-methyl-, 1-(4-methylbenzenesulfonate), (R)-, commonly known as a sulfonate ester, is a chemical compound characterized by its structure that includes a glycerol backbone with a methyl group and a 4-methylbenzenesulfonate moiety. This compound is typically a colorless to pale yellow liquid, exhibiting moderate solubility in water due to the presence of hydroxyl groups, while also being soluble in organic solvents. The sulfonate group enhances its reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. Its chirality, indicated by the (R)- designation, suggests that it may exhibit specific optical activity, which can be significant in applications such as pharmaceuticals or agrochemicals where stereochemistry plays a crucial role in biological activity. Additionally, the compound may have applications in organic synthesis and as an intermediate in the production of other chemical entities. Safety data should be consulted for handling and storage, as sulfonate esters can have varying degrees of toxicity and environmental impact.
Formula:C11H16O5S
InChI:InChI=1S/C11H16O5S/c1-9-3-5-10(6-4-9)17(14,15)16-8-11(2,13)7-12/h3-6,12-13H,7-8H2,1-2H3/t11-/m1/s1
InChI key:InChIKey=ZLSNDQILCKGABD-LLVKDONJSA-N
SMILES:S(OC[C@](CO)(C)O)(=O)(=O)C1=CC=C(C)C=C1
Synonyms:
  • (R)-2,3-Dihydroxy-2-Methylpropyl 4-Methylbenzenesulfonate
  • 1,2,3-Propanetriol, 2-methyl-, 1-(4-methylbenzenesulfonate), (R)-
  • (2R)-2-Methyl-3-[(4-methylbenzenesulfonyl)oxy]propane-1,2-diol
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