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3-Butyn-2-one

ALDRICH/161314 - 95%

CAS Number: 1423-60-5
Empirical Formula (Hill Notation): C4H4O
Molecular Weight: 68.07
EC Number: 215-834-2
MDL Number: MFCD00008775
Linear Formula: HC≡CCOCH3
Product Type: Chemical

Catalog Number PKG Qty. Price Quantity
45-161314-2.5ML 2.5 mL
$327.00
1/EA
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45-161314-10ML 10 mL
$640.00
1/EA
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assay 95%
bp 85 °C (lit.)
density 0.87 g/mL at 25 °C (lit.)
InChI 1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChI key XRGPFNGLRSIPSA-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.406 (lit.)
SMILES string CC(=O)C#C
Application: 3-Butyn-2-one was used in the synthesis of clerodane diterpenoid (+/-)-sacacarin. It was used as substrate in stereoselective, conjugate arylation mediated by gallium(III) chloride leading to (E)-α,β-unsaturated ketones.
General description: 3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives.
Packaging: 2.5, 10 mL in glass bottle
Purity 95%
bp 85 °C (lit.)
Density 0.87 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.406 (lit.)
UNSPSC 12352100

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