745723

3-Methyl-1-butyne

95%

• Sinónimos: 1-Isopentyne, 2-Methyl-3-butyne, 3,3-Dimethyl-1-propyne, Isopropylacetylene, Isopropylethyne
• Fórmula empírica (notación de Hill): C₅H₈
• Número de CAS: 598-23-2
• Peso molecular: 68.12
• EC Number: 209-925-6
• MDL number: MFCD00039853
• UNSPSC Code: 12352100
• PubChem Substance ID: 329765007
• NACRES: NA.22

Propiedades

• Quality Level: 100
• 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

Descripción

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.

Información de seguridad

• pictograms: GHS02
• signalword: Danger
• hcodes: H224
• pcodes: P210
• Hazard Classifications: Flam. Liq. 1
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: -22.0 °F
• flash_point_c: -30 °C