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CAS 4450-76-4

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Pentyl 4-methylbenzenesulfonate

Description:
Pentyl 4-methylbenzenesulfonate, with the CAS number 4450-76-4, is an organic compound characterized by its sulfonate functional group attached to a 4-methylbenzenesulfonic acid moiety. This compound typically appears as a colorless to pale yellow liquid and is soluble in organic solvents, making it useful in various chemical applications. The presence of the pentyl group contributes to its hydrophobic characteristics, while the sulfonate group enhances its reactivity, particularly in nucleophilic substitution reactions. Pentyl 4-methylbenzenesulfonate is often utilized as a reagent in organic synthesis, particularly in the preparation of sulfonate esters and as a potential intermediate in the production of pharmaceuticals and agrochemicals. Its stability under standard conditions and the ability to undergo various chemical transformations make it a valuable compound in synthetic organic chemistry. However, as with all chemical substances, appropriate safety measures should be taken when handling it, considering potential hazards associated with sulfonate esters.
Formula:C12H18O3S
InChI:InChI=1S/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChI key:InChIKey=KOUCTZDKTJGHSS-UHFFFAOYSA-N
SMILES:S(OCCCCC)(=O)(=O)C1=CC=C(C)C=C1
Synonyms:
  • Pentyl p-toluenesulfonate
  • Benzenesulfonic acid, 4-methyl-, pentyl ester
  • p-Toluenesulfonic acid, pentyl ester
  • Pentyl tosylate
  • Pentyl 4-methylbenzenesulfonate
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