745723

3-Methyl-1-butyne

95%

• Synonym(s): 1-Isopentyne, 2-Methyl-3-butyne, 3,3-Dimethyl-1-propyne, Isopropylacetylene, Isopropylethyne
• Empirical Formula (Hill Notation): C₅H₈
• CAS Number: 598-23-2
• Molecular Weight: 68.12
• EC Number: 209-925-6
• MDL number: MFCD00039853
• UNSPSC Code: 12352100
• PubChem Substance ID: 329765007
• NACRES: NA.22

Properties

• Assay: 95%
• form: liquid
• refractive index: n20/D 1.374
• density: 0.666 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: C#CC(C)C
• InChI: 1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
• InChI key: USCSRAJGJYMJFZ-UHFFFAOYSA-N

Description

Application

3-Methyl-1-butyne can be used as a reactant in the ruthenium-catalyzed synthesis of functionalized cycloheptadienes and titanium-catalyzed [2+2+1] multicomponent pyrrole synthesis. It is also used as a precursor in the total syntheses of (+)-frondosin A, (−)-citrinadin A, (+)-citrinadin B and coraxeniolide A.

3-Methyl-1-butyne is a terminal alkyne that can be used to prepare:

• Maleimide-fused cyclopentenones by reacting with N-substituted maleimides via Co₂(CO)₈-mediated Pauson−Khand reaction.
• An alkyne carboxylic acid (Alkyne Segment C) intermediate, which is used in the total synthesis of oscillatoxin D and its analogs.

Safety Information

• Pictograms: GHS02
• Signal Word: Danger
• Hazard Statements: H224
• Precautionary Statements: P210
• Hazard Classifications: Flam. Liq. 1
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): -22.0 °F
• Flash Point(C): -30 °C