4,4-Dimethyl-2-pentyne
- CAS NO.:999-78-0
- Empirical Formula: C7H12
- Molecular Weight: 96.17
- MDL number: MFCD00041613
- EINECS: 633-707-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 4,4-Dimethyl-2-pentyne?
The Uses of 4,4-Dimethyl-2-pentyne
4,4-Dimethyl-2-pentyne is used in organometallic reactions for regioselectivity of its insertion into the Pd-C bond of cyclopalladated complexes. It is also used to prepare pyrimidine-dione by reacting with isocyanate in the presence of nickel/ N-heterocyclic carbene.
Synthesis Reference(s)
Tetrahedron Letters, 22, p. 2443, 1981 DOI: 10.1016/S0040-4039(01)92928-4
Properties of 4,4-Dimethyl-2-pentyne
Melting point: | -82.4°C |
Boiling point: | 83°C |
Density | 0.718 |
refractive index | 1.4071 |
Flash point: | -10°C |
form | liquid |
color | colorless |
Water Solubility | Immiscible with water. |
BRN | 1733540 |
CAS DataBase Reference | 999-78-0 |
NIST Chemistry Reference | 2-Pentyne, 4,4-dimethyl-(999-78-0) |
Safety information for 4,4-Dimethyl-2-pentyne
Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P243:Take precautionary measures against static discharge. P315:Get immediate medical advice/attention. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P403:Store in a well-ventilated place. |
Computed Descriptors for 4,4-Dimethyl-2-pentyne
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