3-(1,1-Dimethylethyl)-5-[[[(4-Methylphenyl)Sulphonyl]Oxy]Methyl]Oxazolidin-2-One
[CAS# 85117-74-4]

Identification

• Name: 3-(1,1-Dimethylethyl)-5-[[[(4-Methylphenyl)Sulphonyl]Oxy]Methyl]Oxazolidin-2-One
• Synonyms: (3-Tert-Butyl-2-Oxo-Oxazolidin-5-Yl)Methyl 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonic Acid (3-Tert-Butyl-2-Oxo-5-Oxazolidinyl)Methyl Ester; 4-Methylbenzenesulfonic Acid (3-Tert-Butyl-2-Keto-Oxazolidin-5-Yl)Methyl Ester
• Molecular Formula: C₁₅H₂₁NO₅S
• Molecular Weight: 327.39
• CAS Registry Number: 85117-74-4
• EINECS: 285-623-8
• SMILES: C1=CC(=CC=C1[S](OCC2OC(N(C(C)(C)C)C2)=O)(=O)=O)C
• InChI: 1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)20-10-12-9-16(14(17)21-12)15(2,3)4/h5-8,12H,9-10H2,1-4H3
• InChIKey: AMLLKTNBWNUPMG-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 517.969°C at 760 mmHg (Cal.)
• Flash point: 267.058°C (Cal.)