1-[(3S,4R)-3-Hydroxy-2,2-Dimethyl-6-Phenylsulfonylchroman-4-Yl]Pyrrolidin-2-One
[CAS# 132014-21-2]

Identification

• Name: 1-[(3S,4R)-3-Hydroxy-2,2-Dimethyl-6-Phenylsulfonylchroman-4-Yl]Pyrrolidin-2-One
• Synonyms: 1-[(3S,4R)-3-Hydroxy-2,2-Dimethyl-6-Phenylsulfonyl-Chroman-4-Yl]Pyrrolidin-2-One; 1-[(3S,4R)-3-Hydroxy-2,2-Dimethyl-6-Phenylsulfonyl-4-Chromanyl]-2-Pyrrolidinone; 1-[(3S,4R)-3-Hydroxy-2,2-Dimethyl-6-Phenylsulfonyl-Chroman-4-Yl]-2-Pyrrolidone
• Molecular Formula: C₂₁H₂₃NO₅S
• Molecular Weight: 401.48
• CAS Registry Number: 132014-21-2
• SMILES: [C@H]3(C1=C(C=CC(=C1)[S](C2=CC=CC=C2)(=O)=O)OC([C@H]3O)(C)C)N4C(CCC4)=O
• InChI: 1S/C21H23NO5S/c1-21(2)20(24)19(22-12-6-9-18(22)23)16-13-15(10-11-17(16)27-21)28(25,26)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,19-20,24H,6,9,12H2,1-2H3/t19-,20+/m1/s1
• InChIKey: LKAQWOWWTKFLNX-UXHICEINSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 617.978°C at 760 mmHg (Cal.)
• Flash point: 327.542°C (Cal.)