Compound 3a

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Compound data: CIF

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

^iPr2TpCu^I(NCMe) (0.105 g, 0.184 mmol) was dissolved in 1 mL CH₂Cl₂ and added to 2,6-dimethylphenyl isocyanide (26.0 mg, 0.198 mmol) in 1 mL CH₂Cl₂. The reaction was allowed to stand at room temperature for 5 min. The resulting solution was layered with 2 mL pentane. Colorless crystals formed overnight at -40 ºC. The crystals were collected and dried under reduced pressure to give 59.0 mg product (49% yield). ¹H NMR (CD₂Cl₂, 400 MHz): δ 7.26 (t, 1, p-ArH), 7.18 (d, 2, m-ArH), 5.82 (s, 3, pzH), 3.74 (m, 3, CH(CH₃)₂), 3.27 (m, 3, CHMe₂), 2.49 (s, 6, ArCH₃), 1.25 (dd, 36, (CH₃)₂CH); ¹³C{¹H} NMR (CD₂Cl₂, 100 MHz): δ 158.2, 154.9, 135.3, 128.7, 128.3, 110.47, 96.6, 28.5, 26.5, 24.0, 23.5, 19.0. IR: CN (2109 cm^-1). Anal. Calcd. for C₃₆H₅₅B₁Cu₁N₇: C, 65.49; H, 8.40; N, 14.85. Found: C, 65.28; H, 8.43; N, 14.95.