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3-Butyn-2-one, 98%, Thermo Scientific Chemicals

Product Code. 11327485
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Quantity:
1 g
5 g
25 g
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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. 3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines2. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives. 3-Butyn-2-one, is used as a reactant with Dimethyl­ acetone-1,3-dicarboxyl­ate, under mild conditions to give a benzenoid product via a Michael addition - aldol cyclization process.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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. 3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines2. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives. 3-Butyn-2-one, is used as a reactant with Dimethyl­ acetone-1,3-dicarboxyl­ate, under mild conditions to give a benzenoid product via a Michael addition - aldol cyclization process.

Solubility
It is soluble in water.

Notes
Stable under normal temperatures and pressures. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from oxidizing agents.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 1423-60-5
Molecular Formula C4H4O
Molecular Weight (g/mol) 68.08
MDL Number MFCD00008775
InChI Key XRGPFNGLRSIPSA-UHFFFAOYSA-N
Synonym 3-butyn-2-one, 1-butyn-3-one, methyl ethynyl ketone, acetylacetylene, butyn-2-one, acetylethyne, 1-butyne-3-one, 3-butyne-2-one, ethynyl methyl ketone, ch3coc#ch
PubChem CID 15018
ChEBI CHEBI:48060
IUPAC Name but-3-yn-2-one
SMILES CC(=O)C#C

Specifications

Density 0.87
Boiling Point 84°C to 86°C
Flash Point −1°C (30°F)
Refractive Index 1.406
Quantity 25 g
UN Number UN1992
Beilstein 605353
Solubility Information It is soluble in water.
Formula Weight 68.08
Percent Purity 98%
Chemical Name or Material 3-Butyn-2-one
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RUO – Research Use Only

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