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

ALDRICH/418676 - 97%

CAS Number: 5930-98-3
Empirical Formula (Hill Notation): C₇H₁₂OSi
Molecular Weight: 140.26
MDL Number: MFCD00190212
Linear Formula: (CH₃)₃SiC≡CCOCH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-418676-5G	5 g	$94.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

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

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).
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.
Packaging:	5 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H315 - H319 - H335
Precautionary statements	P210 - P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	16-26-36
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

Purity	97%
bp	156 °C (lit.)
Density	0.854 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.442 (lit.)
UNSPSC	12352100

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