745723

3-Methyl-1-butyne

95%

• 동의어(들): 1-Isopentyne, 2-Methyl-3-butyne, 3,3-Dimethyl-1-propyne, Isopropylacetylene, Isopropylethyne
• 실험식(Hill 표기법): C₅H₈
• CAS Number: 598-23-2
• Molecular Weight: 68.12
• EC Number: 209-925-6
• MDL number: MFCD00039853
• UNSPSC 코드: 12352100
• PubChem Substance ID: 329765007
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 95%
• 양식: liquid
• refractive index: n20/D 1.374
• density: 0.666 g/mL at 25 °C (lit.)
• 저장 온도: 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

설명

애플리케이션

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.

안전성 정보

• 픽토그램: GHS02
• 신호어: Danger
• 유해 및 위험 성명서: H224
• 예방조치 성명서: 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