N－（1－氧代－1－磷杂－2，6，7－三氧杂双环［2．2．2］－辛烷－4－羰基）－N＇－芳（烷）基硫脲的合成及结构研究

Studies on the Synthesis and Structure of N-(1-Oxo-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane-4-carbonyl)-N'-aryl(alkyl)thioureas

首次合成了酰基异硫氰酸酯４，并将其与各种芳胺、脂肪胺和肼衍生物加成，得到了２２种未见文献报道的含双环笼状磷酸酯结构的酰基硫脲化合物（５ａ－５ｘ）。４与丁胺反应未得到预期的加成产物，而得到相应的取代产物６。研究了５的结构。

Twenty-two carbonyl thioureas derivatives──N-(1-oxo-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane- 4- carbonyl)- N'- aryl(alkyl)thioureas 5a─5x were synthesized by the addition reaction of 1-oxo-4-carbonyl isothiocyanate-2, 6 , 7-trioxa-1-phosphabicyclo[2. 2 .2]octane 4 with various amines.The IR and ￣1H NMR spectra of 5 show that most of them exist in the keto-thioketo form and only a few of them have keto-thioenol tautomer.IR and 1H NMR data also indicate that compounds 5 have intramolecular hydrogen bond. The structures of 5 were also confirmed by elementary analysis and MS. The biological activities of 5 and the crystal structure of compound 5q are being tested.