1,3-Cyclobutanedione Explained

1,3-Cyclobutanedione is an organic compound with the formula . It is an isomer of 1,2-cyclobutanedione. The compound would be of little interest except that its tautomer is a subunit in some commercial dyes.

In solution, 1,3-cyclobutanedione exists in equilibrium with a less stable tautomer, called squaraine, 3-hydroxycyclobut-2-enone.[1] Squaraine dyes are, formally at least, derivatives of squaraine. In such dyes, the ene-one tautomer predominates.The mixture of tautomers can be prepared by hydrolysis of 1-ethoxycyclobutene-3-one, which is prepared from the cycloaddition of ethoxyacetylene to ketene.[2]

Substituted derivatives

A variety of substituted 1,3-Cyclobutanediones form upon spontaneous dimerization of disubstituted ketenes.[3] 2,2,4,4-Tetramethylcyclobutanedione is thus formed by dehydrochlorination of isobutyryl chloride:

Ketene itself dimerizes mainly to give the lactone called diketene as well as a small amount of 1,3-cyclobutanedione.

Related compounds

References

  1. 10.1021/jp9030915 . Thermochemical Properties and Contribution Groups for Ketene Dimers and Related Structures from Theoretical Calculations . 2009 . Morales . Giovanni . Martínez . Ramiro . The Journal of Physical Chemistry A . 113 . 30 . 8683–8703 . 19572711 . 2009JPCA..113.8683M .
  2. 10.1021/ja00878a051 . Cyclobutane-1,3-Dione . 1962 . Wasserman . Harry H. . Dehmlow . Eckehard V. . Journal of the American Chemical Society . 84 . 19 . 3786–3787 .
  3. Book: 10.1002/9780470771600.ch8 . Synthetic uses of ketenes and allenes . Ketenes, Allenes and Related Compounds: Vol. 1 (1980) . 1980 . Brady . William T. . 279–308 . 978-0-470-77160-0. PATAI'S Chemistry of Functional Groups. Saul Patai .