Compound 2c

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InChIKey KOJHYMDIYQUSMA-UHFFFAOYSA-L

Compound data: CIF

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

A typical experimental procedure is given for compound 2a. ¹H NMR (400.1 MHz, CD₂Cl₂, 30 °C): δ 7.84-7.64 (m, 3H, ArH), 7.62-7.07 (m, 7H, ArH), 4.35 (s, 1H, cage-CH), 4.10 (s, 1H, cage-CH), 2.62 (bs, 2H, alkyl-CH), 2.50 (bs, 2H, alkyl-CH), 3.27-1.30 (m, 9H, cage-BH); ¹¹B NMR (128.4 MHz, CD₂Cl₂, 30 °C, BF₃-Et₂O): δ -1.3 (s, 1B, B-S), -4.6 (d, ¹J_B-H= 70 Hz, 1BH), -10.4 (d, ¹J_B-H= 75 Hz, 2BH), -12.0 to -20.8 (m, 6BH); ³¹P {¹H} NMR (162.0 MHz, CD₂Cl₂, 30 °C): δ 41.1 (s, J_P-Pt = 3634 Hz). HRMS (ESI): m/z calcd for C₁₆H₂₅B₁₀ClPPtS [M-Cl]⁺: 618.1754, found: 618.1709. Calculated for C₁₆B₁₀H₂₅Cl₂PPtS·¼C₆H₁₄: C, 31.09; H, 4.25; found: C, 31.19; H, 4.17. Single crystals suitable for X-ray diffraction studies were grown by slow evaporation from CH₂Cl₂ in a NMR tube.