Nitryl cyanide is an energetic chemical compound with the formula NCNO2. Nitryl cyanide is a possible precursor to the theoretical explosive 2,4,6-trinitro-1,3,5-triazine.[1][2]

Synthesis

Nitryl cyanide was first synthesized in 2014. The reaction of nitronium tetrafluoroborate with tert-butyldimethylsilyl cyanide at −30 °C produces nitryl cyanide, with tert-butyldimethylsilyl fluoride and boron trifluoride as byproducts.[1]

NO2BF4 + t−BuMe2SiCN → NCNO2 + t−BuMe2SiF + BF3

The conversion of this method is only 50%, and using an excess of tert-butyldimethylsilyl causes the yield to drop even further.[1]

References

  1. ^ a b c Rahm, Martin; Bélanger-Chabot, Guillaume; Haiges, Ralf; Christe, Karl O. (2014-07-01). "Nitryl Cyanide, NCNO2". Angewandte Chemie International Edition. 53 (27): 6893–6897. doi:10.1002/anie.201404209. PMID 24861214.
  2. ^ Zhou, Ming-Ming; Xiang, Dong (2022-05-29). "Theoretical Prediction of Structures and Properties of 2,4,6-Trinitro-1,3,5-Triazine (TNTA) Green Energetic Materials from DFT and ReaxFF Molecular Modeling". Materials. 15 (11): 3873. Bibcode:2022Mate...15.3873Z. doi:10.3390/ma15113873. ISSN 1996-1944. PMC 9182073. PMID 35683171.