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418676

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

97%

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About This Item

Linear Formula:
(CH3)3SiC≡CCOCH3
CAS Number:
5930-98-3
Molecular Weight:
140.26
NACRES:
NA.22
PubChem Substance ID:
24866234
UNSPSC Code:
12352100
MDL number:
MFCD00190212
Assay:
97%
Form:
liquid
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Quality Segment

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

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).

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

82.4 °F - closed cup

Flash Point (°C)

28 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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