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

Product Code	Brand	Quantity
11307485	Thermo Scientific Alfa Aesar L05527.03	1 g
11317485	Thermo Scientific Alfa Aesar L05527.06	5 g
11327485	Thermo Scientific Alfa Aesar L05527.14	25 g

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.

Chemical Identifiers

• CAS: 1423-60-5
• Molecular Weight (g/mol): 68.08
• InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N
• PubChem CID: 15018
• IUPAC Name: but-3-yn-2-one

• Molecular Formula: C4H4O
• MDL Number: MFCD00008775
• 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
• ChEBI: CHEBI:48060
• SMILES: CC(=O)C#C

Specifications

• CAS: 1423-60-5
• Boiling Point: 84°C to 86°C
• Molecular Formula: C4H4O
• MDL Number: MFCD00008775
• Beilstein: 605353
• Solubility Information: It is soluble in water.
• SMILES: CC(=O)C#C
• Molecular Weight (g/mol): 68.08
• ChEBI: CHEBI:48060
• Percent Purity: 98%

• Density: 0.87
• Flash Point: −1°C (30°F)
• Refractive Index: 1.406
• UN Number: UN1992
• 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
• InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N
• IUPAC Name: but-3-yn-2-one
• PubChem CID: 15018
• Formula Weight: 68.08
• Chemical Name or Material: 3-Butyn-2-one

Safety and Handling

GHS H Statement
H225-H300-H318-H315-H335
Highly flammable liquid and vapor.
Fatal if swallowed.
Causes serious eye damage.
Causes skin irritation.
May cause respiratory irritation.

P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P312-P330-P332+P313-P363-P370+P378q-P501c

H225-H300-H315-H319-H335

missing translation for 'dotInformation' : Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: FLAMMABLE LIQUIDS, TOXIC, N.O.S.

missing translation for 'einecsNumber' : 215-834-2

missing translation for 'tsca' : No

Recommended Storage : Keep cold

RUO – Research Use Only