Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 286014-53-7, is researched, SMILESS is CC1=C([N+]2=CN(C3=C(C)C=C(C)C=C3C)C=C2)C(C)=CC(C)=C1.F[B-](F)(F)F, Molecular C21H25BF4N2Journal, Organometallics called Cyclopentadienyl Molybdenum(II/VI) N-Heterocyclic Carbene Complexes: Synthesis, Structure, and Reactivity under Oxidative Conditions, Author is Li, Shenyu; Kee, Choon Wee; Huang, Kuo-Wei; Hor, T. S. Andy; Zhao, Jin, the main research direction is imidazolium bromide reaction silver cyclopentadienyl molybdenum carbonyl fluoroborate oxidation; crystal mol structure optimized cyclopentadienyl imidazolylidene molybdenum carbonyl preparation; cyclooctene epoxidation catalyst cyclopentadienyl NHC molybdenum carbonyl.Quality Control of 1,3-Dimesityl-1H-imidazol-3-ium tetrafluoroborate.
N-heterocyclic carbene (NHC) complexes CpMo(CO)2(NHC)X (NHC = IMe = 1,3-dimethylimidazol-2-ylidene, X = Br, 1; NHC = 1,3-dipropylimidazol-2-ylidene, X = Br, 2; NHC = IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene, X = Br, 3; NHC = IBz = 1,3-dibenzylimidazol-2-ylidene, X = Br, 4a, and X = Cl, 4b; NHC = 1-methyl-3-propylimidazol-2-ylidene, X = Br, 5) and [CpMo(CO)2(IMes)(MeCN)][BF4] (6) were synthesized and fully characterized. The stability of metal-NHC ligand bonds in these compounds under oxidative conditions was studied. The thermally stable Mo(VI) dioxo NHC complex [CpMoO2(IMes)][BF4] (9) was isolated by the oxidation of the ionic complex 6 by TBHP (tert-Bu hydrogen peroxide). Complex 6 can be applied as a very active (TOFs up to 3400 h-1) and selective olefin epoxidation catalyst. While under oxidative conditions (in the presence of TBHP), compounds 1-5 decompose into imidazolium bromide and imidazolium polyoxomolybdate. The formation of polyoxomolybdate as oxidation products had not been observed in a similar epoxidation catalyzed by Mo(II) and Mo(VI) complexes. DFT studies suggest that the presence of Br- destabilizes the CpMo(VI) oxo NHC carbene species, consistent with the exptl. observations.
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