Compound 6acdf

2-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)-4-phenyl-5-(4-(trifluoromethyl)phenyl)thiophene 1-oxide

From: Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis

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InChIKey NNPSSQLBHZPCRR-UHFFFAOYSA-N

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

Compound 6acdf was synthesized by the general method outlined for 6acde replacing reagent 5acde with 5acdf. Purification by preparative thin-layer chromatography (hexane/CHCl3 = 2:3) afforded 6acdf (30.0 mg, 54 % yield) as a yellow solid. 1H NMR (400 MHz, CDCl3): δ 7.52 (d, J = 8.4 Hz, 2H), 7.47 (d, J = 8.8 Hz, 2H), 7.34–7.30 (m, 4H), 7.25–7.16 (m, 3H), 6.94 (d, J = 6.8 Hz, 2H), 6.86 (d, J = 9.2 Hz, 2H), 6.68 (d, J = 9.2 Hz, 2H), 3.75 (s, 3H), 1.29 (s, 9H); 13C NMR (100 MHz, CDCl3): δ 159.4, 152.0, 146.6, 143.7, 143.3, 139.9, 134.4, 133.0, 131.2, 130.1 (q, 2JCF = 37.2 Hz), 129.9, 129.6, 129.3, 128.53, 128.46, 127.5, 125.7, 125.5 (q, 3JCF = 3.8 Hz), 125.2, 123.9 (q, 1JCF = 276 Hz), 113.8, 55.1, 34.7, 31.1; HRMS (DART) m/z calcd for C34H30F3O2S [MH]+: 559.19186, found 559.19277.

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