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

Description

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.

Specifications

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

• Density: 0.87
• Boiling Point: 84°C to 86°C
• Flash Point: −1°C (30°F)
• Refractive Index: 1.406
• Quantity: 5 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

RUO – Research Use Only