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CAS 212188-60-8

:

3-[[(2R)-2,3-Dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl 4,4,4-trifluoro-1-butanesulfonate

Description:
3-[[(2R)-2,3-Dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl 4,4,4-trifluoro-1-butanesulfonate, with CAS number 212188-60-8, is a chemical compound characterized by its complex structure, which includes an indene derivative and a sulfonate group. This compound features a trifluoromethyl group, which enhances its lipophilicity and may influence its biological activity. The presence of the hydroxymethyl group contributes to its potential reactivity and solubility in polar solvents. The sulfonate moiety is known for its ability to enhance the water solubility of organic compounds, making this substance potentially useful in various applications, including pharmaceuticals and agrochemicals. Its stereochemistry, indicated by the (2R) configuration, suggests specific spatial arrangements that may be crucial for its interaction with biological targets. Overall, this compound's unique combination of functional groups and structural features may impart specific properties that are of interest in medicinal chemistry and material science.
Formula:C20H21F3O5S
InChI:InChI=1S/C20H21F3O5S/c21-20(22,23)8-3-9-29(25,26)28-17-6-2-5-16(12-17)27-19-7-1-4-15-10-14(13-24)11-18(15)19/h1-2,4-7,12,14,24H,3,8-11,13H2/t14-/m1/s1
InChI key:InChIKey=XJURALZPEJKKOV-CQSZACIVSA-N
SMILES:O(C1=C2C(C[C@@H](CO)C2)=CC=C1)C3=CC(OS(CCCC(F)(F)F)(=O)=O)=CC=C3
Synonyms:
  • 1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-[[(2R)-2,3-dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl ester
  • 3-[[(2R)-2,3-Dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl 4,4,4-trifluoro-1-butanesulfonate
  • Bay-38-7271
  • BAY-38-7071
  • (R)-3-(2-(hydroxymethyl)-2,3-dihydro-1H-inden-4-yloxy)phenyl 4,4,4-trifluorobutane-1-sulfonate
  • (R)-3-(2-(hydroxymethyl)-2,3-dihydro-1H-inden-4-yloxy)phenyl 4,4,4-trifluorobutane-1-sulfonate USP/EP/BP
  • 4,4,4-Trifluoro-1-butanesulfonic acid 3-[[(2R)-2,3-dihydro-2-(hydroxymethyl)-1H-inden-4-yl]oxy]phenyl ester
  • O-1861 (R-form)
  • KN 38-7271
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