Dataset

Short-RInChIKey=SA-FUHFF-UHFFFADPSC-SBWXPELEFU-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

The information given below was retrieved and reworked from the publication: Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation by Weigang Lu, Daqiang Yuan, Dan Zhao, Christine Inge Schilling, Oliver Plietzsch, Thierry Muller, Stefan Bräse, Johannes Guenther, Janet Blümel, Rajamani Krishna, Zhen Li and Hong-Cai Zhou. https://doi.org/10.1021/cm1021068To a three necked round bottomed flask containing tetraphenyladamantane (6.00 g, 13.6 mmol, 1 eq.), bromine (7.00 mL, 21.7 g, 136 mmol, 10 eq.) was added under vigorous stirring at room temperature. After the addition was completed, the resulting solution was stirred for 20 min and then cooled to –78 °C. At this temperature, ethanol (60 mL) was added slowly and the reaction mixture was allowed to warm to room temperature overnight. The precipitate was filtered off and washed subsequently with saturated aqueous sodium hydrogensulfite solution (50 mL) and water (50 mL). The obtained white solid was suspended in methanol (50 mL) and stirred for 1 h at 40 °C. The precipitate was filtered off and recrystallized from chloroform to obtain an off-white powder (6.19 g, 8.23 mmol, 60%).Analysis of the target compound: 1H NMR (400 MHz, CDCl3) δ: 7.47 (d, J = 8.7 Hz, 8H, ArmH), 7.32 (d, J = 8.7 Hz, 8H, AroH), 2.08 (s, 12H, Ad-CH2); 13C NMR (100 MHz, CDCl3) δ: 147.7, 131.5, 126.8, 120.2, 46.8, 39.0. IR (DRIFT, cm–1) 3053 (w), 3029 (w), 2932 (m), 2900 (m), 2854 (m), 2589 (vw), 1902 (w), 1782 (w), 1643 (w), 1587 (w), 1489 (s), 1449 (m), 1395 (m), 1356 (m), 1215 (m), 1181 (m), 1109 (w), 1078 (m), 1008 (s), 962 (w), 944 (w), 892 (m), 824 (m), 778 (m), 763 (m), 751 (m), 718 (m), 672 (m), 561 (m), 529 (m), 487 (w); MS (FAB, 3-NBA) 760/758/756/754/752 (M+); HRMS calcd. for C34H28Br4 751.8925; found 751.8928.

Chemical Info

InChI Short-RInChIKey=SA-BUHFF-SBWXPELEFU-YDUVZTACEK-VKMUBRYZTJ-NUHFF-NUHFF-NUHFF-ZZZ

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MetadataCreated 2022-10-06T16:33:40.633053
MetadataModified 2022-10-06T16:33:40.633058
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