Compound 1d

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InChIKey RXOBODTXBXQOJN-UHFFFAOYSA-N

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 1a. Isolated yield 1.74 g, 84%. ¹H NMR (400.1 MHz, CD₂Cl₂, 30 °C): δ 7.43-7.34 (m, 4H, ArH), 7.33-7.25 (m, 6H, ArH), 3.19-1.12 (bm, 9H, cage-BH), 2.46 (bm, 2H, PCH₂), 2.27 (m, 2H, SCH₂), 1.96 (bs, 6H, CH₃); ¹³C{¹H} NMR (100.6 MHz, CD₂Cl₂, 30 °C): δ 139.0 (d, ArC, J_C-P= 14 Hz), 133.3 (d, ArC, J_C-P= 19 Hz), 129.2 (s, ArC), 129.0 (d, ArC, J_C-P= 7 Hz), 72.9 (s, cage-C), 67.4 (s, cage-C), 31.4 (d, AliphC, J_C-P= 14 Hz), 29.6 (d, AliphC, J_C-P= 23 Hz), 23.8 (s, AliphCH₃), 22.5 (s, AliphCH₃); ¹¹B (128.4 MHz, CD₂Cl₂, 30 ^oC, BF₃-Et₂O): δ 3.9 (s, 1B-S), -6.2 (d, ¹J_B-H= 151 Hz, 1BH), -8.2 to -14.5 (m, 8BH); ³¹P{¹H} NMR (162.0 MHz, CD₂Cl₂, 30 °C): δ - 16.3 (s). Calculated for C₁₈H₂₉B₁₀PS: C, 51.90; H, 7.02; found: C, 51.87; H, 6.76. Single crystals suitable for X-ray diffraction studies were grown by slow evaporation from n-pentane in a NMR tube.