Compound 2

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InChIKey SKUHVQLVSVDITA-RPQRXOQVSA-K

Compound data: CIF

Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.

To a solution of ligand 1 (197 mg, 0.70 mmol) in acetone (20 mL) was added a solution of CoCl₂·6H₂O (166 mg, 0.70 mmol) in acetone (10 mL). The mixture was stirred for 2 h under a continuous bubbling of air. The resulting green precipitate is filtered off, dissolved in CH₃CN, filtered and the solvent evaporated. The same operation was done with CH₂Cl₂ to finally yield a green powder (227 mg, 79% yield). ¹H NMR (300 MHz, acetone d⁶): δ ppm 19.40 (s, 1H, OHO); 4.62–4.53 (m, 3H, CH₂, CHN₃); 3.88 (t, 13.2 Hz, 2H, CH₂); 2.77 (d, J = 1.7 Hz, 6H, CH₃); 2.55 (s, 6H, CH₃). ¹³C NMR (75 MHz, DMSO d⁶): δ ppm 176.9, 155.9, 58.6, 54.0, 18.2, 13.7. MS (ESI^–): m/z 407.8 [M-H]^–. Elemental analysis calcd. (%) for C₁₁H₁₈Cl₂CoN₇O₂· 0.4 C₃H₆O: C 33.70, H 4.72, N 22.72; found: C 33.34, H 4.60, N 22.35.