3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3R)-

CAS Registry Number®

116183-80-3

CAS Name

3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3R)-

Molecular Formula

C18H21NO3S

Molecular Mass

331.43

Cite this Page

3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116183-80-3 (retrieved 2024-11-22) (CAS RN: 116183-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    62 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C18H21NO3S/c1-15-7-9-18(10-8-15)23(20,21)22-17-11-12-19(14-17)13-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m1/s1

InChIKey

InChIKey=DFFINYKUAYHRBO-QGZVFWFLSA-N

SMILES

O(S(=O)(=O)C1=CC=C(C)C=C1)[C@H]2CN(CC3=CC=CC=C3)CC2

Canonical SMILES

O=S(=O)(OC1CN(CC=2C=CC=CC2)CC1)C3=CC=C(C=C3)C

Other Names for this Substance

  • 3-Pyrrolidinol, 1-(phenylmethyl)-, 3-(4-methylbenzenesulfonate), (3R)-
  • 3-Pyrrolidinol, 1-(phenylmethyl)-, 4-methylbenzenesulfonate (ester), (R)-
  • 3-Pyrrolidinol, 1-(phenylmethyl)-, 4-methylbenzenesulfonate (ester), (3R)-
  • (R)-1-Benzyl-3-p-toluenesulfonyloxypyrrolidine
  • (R)-1-Benzylpyrrolidin-3-yl toluene-4-sulfonate

View All

Deleted or Replaced CAS Registry Numbers

859212-57-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration