3-Butyn-2-one
ALDRICH/161314 - 95%
CAS Number: 1423-60-5
Empirical Formula (Hill Notation): C4H4O
Molecular Weight: 68.07
EC Number: 215-834-2
MDL Number: MFCD00008775
Linear Formula: HC≡CCOCH3
Product Type: Chemical
assay | 95% |
bp | 85 °C (lit.) |
density | 0.87 g/mL at 25 °C (lit.) |
InChI | 1S/C4H4O/c1-3-4(2)5/h1H,2 |
InChI key | XRGPFNGLRSIPSA-UHFFFAOYSA |
Quality Level | 100 |
refractive index | n |
SMILES string | CC(=O)C#C |
Application: | 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. |
General description: | 3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives. |
Packaging: | 2.5, 10 mL in glass bottle |
Symbol | GHS02,GHS06 |
Signal word | Danger |
Hazard statements | H225 - H300 - H315 - H319 - H335 |
Precautionary statements | P210 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338 |
Hazard Codes | F,T+ |
Risk Statements | 11-28-36/37/38 |
Safety Statements | 7/9-16-26-36/37/39-45 |
RIDADR | UN 1992 6.1(3) / PGII |
WGK Germany | WGK 3 |
Flash Point(F) | 30.2 °F - closed cup |
Flash Point(C) | -1 °C - closed cup |
Purity | 95% |
bp | 85 °C (lit.) |
Density | 0.87 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 12352100 |