418676

4-(Trimethylsilyl)-3-butyn-2-one

97%

• Linear Formula: (CH₃)₃SiC≡CCOCH₃
• CAS Number: 5930-98-3
• Molecular Weight: 140.26
• MDL number: MFCD00190212
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866234
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• form: liquid
• refractive index: n20/D 1.442 (lit.)
• bp: 156 °C (lit.)
• density: 0.854 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(=O)C#C[Si](C)(C)C
• InChI: 1S/C7H12OSi/c1-7(8)5-6-9(2,3)4/h1-4H3
• InChI key: NQEZDDPEJMKMOS-UHFFFAOYSA-N

Description

General description

4-(Trimethylsilyl)-3-butyn-2-one is a ketone. Its asymmetric bioreduction to enantiopure {(S)-TMSBOL in various hydrophilic ionic liquid (ILs) solvent systems has been reported.

Application

4-(Trimethylsilyl)-3-butyn-2-one (TMSB) has been used to investigate its asymmetric bioreduction to (S)-4-(trimethylsilyl)-3-butyn-2-ol {(S)-TMSBOL} by employing biocompatible water-immiscible ionic liquids (ILs). TMSB may be used for the synthesis of entecavir (BMS-200475).

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 82.4 °F - closed cup
• flash_point_c: 28 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter