Iron, 1,3,2-Benzodioxaborol-2-yldicarbonyl(η5-2,4-cyclopentadien-1-yl), CpFe(CO)2Bcat

[148607-89-0] C13H9BO4Fe (MW 295.87) InChI = 1S/C6H4BO2.C5H5.2CO.Fe/c1-2-4-6-5(3-1)8-7-9-6;1-2-4-5-3-1;2*1-2;/h1-4H;1-5H;;;/q+1;;;;-1 InChIKey = GRSMLVHJPHGDDI-UHFFFAOYSA-N (transition metal boron reagent1-3 for stoichiometric borylation of arenes and alkenes under photochemical conditions) Physical Data: d = 1.567 g cm−3. Solubility: soluble in hydrocarbon solvents and halogenated solvents. Form Supplied in: pale yellow crystal. Analysis of Reagent Purity: 1H NMR (C6D6) δ 7.13 (m, 2H), 6.81 (m, 2H), 4.20(s, 5H); 11B NMR (C6D6,BF3·OEt2) δ 51.8. Preparative methods: addition of ClBcat in toluene to a toluene suspension of Na[CpFe(CO)2] at ambient temperature followed by filtration, condensation, extraction with pentane, and crystallization at −30 °C from pentane solution.4 Purification: recrystallization at −30 °C from pentane solution. Handling, Storage, and Precautions: air and moisture sensitive, not compatible with donor solvents like H2O, alcohol, and THF, but thermally stable in solution at 120 °C. Should be stored and handled under an inert atmosphere or by using standard Schlenk techniques.