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CAS 16495-04-8

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1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2S)-

Description:
1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2S)-, with CAS number 16495-04-8, is a chemical compound characterized by its structure, which includes a propanediol backbone substituted with a phenylmethoxy group and a 4-methylbenzenesulfonate moiety. This compound is typically a colorless to pale yellow liquid, exhibiting moderate solubility in water and good solubility in organic solvents, which makes it versatile for various applications. It possesses functional groups that can participate in hydrogen bonding, contributing to its reactivity and potential use in organic synthesis. The presence of the sulfonate group enhances its ionic character, which may influence its behavior in biological systems and its interaction with other molecules. Additionally, the stereochemistry indicated by the (2S) designation suggests that it has specific spatial arrangements that could affect its biological activity and interactions. Overall, this compound may find applications in pharmaceuticals, agrochemicals, or as a reagent in organic chemistry due to its unique structural features.
Formula:C17H20O5S
InChI:InChI=1S/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(18)12-21-11-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m0/s1
InChI key:InChIKey=HBMUWOSOGHUWSS-INIZCTEOSA-N
SMILES:S(OC[C@H](COCC1=CC=CC=C1)O)(=O)(=O)C2=CC=C(C)C=C2
Synonyms:
  • (S)-(+)-1-Benzyloxy-3-(p-tosyloxy)-2-propanol
  • 1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (2S)-
  • 1,2-Propanediol, 3-(benzyloxy)-, 1-p-toluenesulfonate, (S)-
  • 1,2-Propanediol, 3-(phenylmethoxy)-, 1-(4-methylbenzenesulfonate), (S)-
  • (S)-3-(Benzyloxy)-2-hydroxypropyl 4-methylbenzenesulfonate
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