16998-91-7Relevant articles and documents
Indazaboles - Synthesis and molecular structure
Wrackmeyera, Bernd,Shahid, Khadija,Kempe, Rhett,Doering, Christian,Milius, Wolfgang
, p. 398 - 401 (2010)
The reaction of 1-trimethylsilyl-indazole with boranes affords indazaboles accompanied by elimination of trimethysilane. Thus, the two isomers of parent indazabole are formed in a 1 : 1 ratio using borane in THF (BH3/THF), characterized by NMR spectroscopy in solution (1H, 11B and 13C NMR). In contrast, the analogous reaction with 1, 2-bis(tetramethylene)diborane(6) proceeds to give a single isomerof the B-alkylated indazabole via symmetric ring cleavage of the diborane(6), as shown by NMR in solution and X-ray structural analysis in the solid state. The molecular structure is fluxional in solution. In the solid state, the central B2N4 ring adopts a distorted boat conformation. Calculated gas phase geometries of the parent indazaboles and of the B-alkylated indazabole were optimized by DFT methods at the B3LYP/6-311+G(d,p) level of theory. Copyright
