Molybdenum Hexacarbonyl; 3,5‐Di‐ tert ‐butyl‐1,2‐benzoquinone

image Mo(CO) 6 [13939‐06‐5] C 6 MoO 6 (MW 264.01) InChI = 1S/6CO.Mo/c6*1‐2; InChIKey = KMKBZNSIJQWHJA‐UHFFFAOYSA‐N 3,5‐Di‐ tert ‐butyl‐1,2‐benzoquinone [3383‐21‐9] C 14 H 20 O 2 (MW 220.31) InChI = 1S/C14H20O2/c1‐13(2,3)9‐7‐10(14(4,5)6)12(16)11(15)8‐9/h7‐8H,1‐6H3 InChIKey = NOUZOVBGCDDMSX‐UHFFFAOYSA‐N (reagent used for deoxygenation of carbonyl compounds and retro‐cyclopropanation) Physical Data: Hexacarbonylmolybdenum; 3,5‐di‐ tert ‐butyl‐1,2‐benzoquinone. Solubility: soluble in hot toluene and mesitylene after complexation. Form Supplied in: Mo(CO) 6 : colorless solid; widely available. 3,5‐di‐ tert ‐butyl‐1,2‐benzoquinone: dark‐red brown solid; widely available. Preparative Methods: 1,2 it is typically prepared in situ by mixing an equimolar amount of Mo(CO) 6 and 3,5‐di‐ tert ‐butyl‐1,2‐benzoquinone in toluene or mesitylene at a temperature above 120 °C. The formation of the molybdenum‐quinone species is indicated by an intense purple color. Handling, Storage, and Precautions: although hexacarbonylmolybdenum and 3,5‐di‐ tert ‐butyl‐1,2‐benzoquinone can be handled in air, once they are mixed together, the resulting reagent should be used rapidly under an inert atmosphere. The reaction should be performed in a well‐ventilated area as CO gas may be released during the preparation. Care must be taken to avoid high pressures in reactions on a large scale.