2-Butyne Explained

2-Butyne (dimethylacetylene, crotonylene or but-2-yne) is an alkyne with chemical formula CH3C≡CCH3. Produced artificially, it is a colorless, volatile, pungent liquid at standard temperature and pressure.

2-Butyne is of interest to physical chemists because of its very low torsional barrier and the problem of determining that barrier using high-resolution infrared spectroscopy. Analysis of its spectrum[1] leads to a determination that the torsional barrier is only 6 cm−1 (1.2 J or 72 J mol−1). However, it has not been determined whether the equilibrium structure is eclipsed (D3h) or staggered (D3d). Symmetry analysis using the Molecular Symmetry Group[2] [3] G36 shows that one would need to analyse its high resolution rotation-vibration Raman spectrum to determine its equilibrium structure.

2-Butyne (dimethylethyne) forms with 5-decyne (dibutylethyne), 4-octyne (dipropylethyne) and 3-hexyne (diethylethyne) a group of symmetric alkynes.

Synthesis

2-Butyne can be synthesized by the rearrangement reaction of ethylacetylene in a solution of ethanolic potassium hydroxide.[4]

Applications

2-Butyne, along with propyne, is used to synthesize alkylated hydroquinones in the total synthesis of Vitamin E.[5]

See also

Notes and References

  1. di Lauro . C.. etal. 1997 . The rotation-torsion structure in the ν11/ν15 (Gs) methyl rocking fundamental band in dimethylacetylene. J. Mol. Spectrosc.. 184 . 1. 177–185 . 10.1006/jmsp.1997.7321.
  2. Longuet-Higgins . H.C. . 1963 . The symmetry groups of non-rigid molecules . Molecular Physics . 6 . 5. 445–460 . 10.1080/00268976300100501 . 1963MolPh...6..445L . free .
  3. P. R. Bunker . 1964 . The Rotation-Torsion Wavefunctions of Molecules that have two Identical Rotors. Mol. Phys. . 8 . 81 . 10.1080/00268976400100091.
  4. Book: Victor von Richter . Hans Meerwein. Organic Chemistry: Chemistry of the aliphatic series Vol. I: Smith's 3rd American Ed.. 1916. P. Blakiston's Sons & Co.. Philadelphia. 89.
  5. Reppe, Walter . Kutepow, N . Magin, A . Cyclization of Acetylenic Compounds. Angewandte Chemie International Edition in English. 1969. 8. 10. 727–733. 10.1002/anie.196907271.