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418676 Sigma-Aldrich

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

97%

  • CAS Number 5930-98-3

  • Linear Formula (CH3)3SiC≡CCOCH3

  • Molecular Weight 140.26

  •  MDL number MFCD00190212

  •  PubChem Substance ID 24866234

  •  NACRES NA.22

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Properties

Related Categories Alkynes, Building Blocks, Chemical Synthesis, Internal, Organic Building Blocks More...
Quality Level   100
assay   97%
refractive index   n20/D 1.442 (lit.)
bp   156 °C (lit.)
density   0.854 g/mL at 25 °C (lit.)
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).

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
RIDADR 
UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany 
WGK 3
Flash Point(F) 
82.4 °F - closed cup
Flash Point(C) 
28 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

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Peer-Reviewed Papers
15

References

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