The valence isomerization reactions of the cation radical of oxirane are investigated using ab initio QCISD methods. There are two stable forms of the ion with the ring intact. The O ionized form is the ground slate: a C-C ionized state lies 10.0 kJ/mol higher. The activation energy for ring opening
Valence isomerization of imidoyl isothiocyanates
β Scribed by Herbert M. Blatter; Halina Lukaszewski
- Publisher
- Elsevier Science
- Year
- 1964
- Tongue
- French
- Weight
- 267 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0040-4039
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β¦ Synopsis
We wish to report the prepsration and novel ring closure reaction of a new class of canpounds, the imldoyl isothlocyanates (I) (1). Imldoylisothlocyauates, prepared frcm lmidoylchlorides andmetalthlocyanates In solvents such as benzene, readily ring close to 4(5E)-qulnazoliuethiones (II) (2) often at temperatures as low as 80" (refluxing benzene). This ring closure, typified by the examples in Table I (J), represents a unique general synthesis of 4(3H)-qulnazollnethiones, and Is apparently the first such of this class of cmpounds to be Independent of the use of anthranili~ acid derivatives (5,6). It should be noted that closure occurs regardless of the presence of electron withdrawing substltuents such as l
π SIMILAR VOLUMES
THIOCYANIC acid esters have long been known to undergo thermal isomerization to give the corresponding isothiocyanic acid esters. Although the isomerization reaction is believed to be quite general and is frequently used as a synthetic route to isothiocyanates, little is known about its nature and m