3-Methyl-1-butyne
ALDRICH/745723 - 95%
Synonym: 1-Isopentyne; 2-Methyl-3-butyne; 3,3-
CAS Number: 598-23-2
Empirical Formula (Hill Notation): C5H8
Molecular Weight: 68.12
EC Number: 209-925-6
MDL Number: MFCD00039853
Linear Formula: C5H8
Product Type: Chemical
| assay | 95% |
| density | 0.666 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C5H8/c1-4-5(2)3/h1,5H, |
| InChI key | USCSRAJGJYMJFZ-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | C#CC(C)C |
| storage temp. | 2-8°C |
| 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. |
| Application: | 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. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |  GHS02 |
| Signal word | Danger |
| Hazard statements | H224 |
| Precautionary statements | P210 |
| Hazard Codes | F+ |
| Risk Statements | 12 |
| Safety Statements | 9-16-33 |
| RIDADR | UN 3295A 3 / PGI |
| WGK Germany | WGK 3 |
| Flash Point(F) | -22.0 °F |
| Flash Point(C) | -30 °C |
| Purity | 95% |
| Density | 0.666 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |