3-(trimethylsilyl)-1,3-oxazolidin-2-one

• ChemBase ID: 137158
• Molecular Formular: C6H13NO2Si
• Molecular Mass: 159.25842
• Monoisotopic Mass: 159.07155519
• SMILES: C[Si](C)(C)N1CCOC1=O
• Canonical SMILES: O=C1OCCN1[Si](C)(C)C
• InChI: InChI=1S/C6H13NO2Si/c1-10(2,3)7-4-5-9-6(7)8/h4-5H2,1-3H3
• InChIKey: AUKCYOUETBBMFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethylsilyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(trimethylsilyl)-1,3-oxazolidin-2-one
• Synonyms: TMSO; 2-Oxo-3-(trimethylsilyl)-1,3-oxazolidine; 3-(Trimethylsilyl)-2-oxazolidinone; 3-Trimethylsilyl-2-oxazolidinone; 2-氧-3-三甲基硅基-1,3-噁唑烷; 3-三甲基甲硅烷基-2-噁唑烷酮

Database IDs

• CAS Number: 43112-38-5
• EC Number: 256-098-2
• MDL Number: MFCD00010197
• Beilstein Number: 1210407
• PubChem SID: 24889723; 162231423
• PubChem CID: 123514

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.3656
• LogD (pH = 7.4): 1.3656
• Log P: 1.3656
• Molar Refractivity: 35.5575 cm^3
• Polarizability: 15.934442 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 87-89 °C/0.8 mmHg; 99-100°C/6mm
• Flash Point: 176 °F; 80 °C; 92°C(198°F)
• Density: 1.013; 1.046 g/mL at 20 °C(lit.)
• Refractive Index: 1.4540; n20/D 1.455

Safety Information

• Storage Warning: Moisture Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%; 98%
• Empirical Formula (Hill Notation): C6H13NO2Si

DETAILS

Sigma Aldrich - 278912

Application
Silylation reagent for hydroxyls.1,2

Sigma Aldrich - 92771

Other Notes
Silylating agent, useful for the silylation of carboxylic acids, 1,3-dicarbonyl compounds and hydroxy compounds 1,2
Packaging
10 mL in glass bottle