NMR Data for compound 37e. tris(2,2,2-trichloroethyl) borate

DOI: 10.14469/hpc/14729 Metadata

Created: 2024-11-01 15:36

Last modified: 2025-02-09 17:04

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

A flame dried two neck round bottomed flask was charged with borane dimethylsulfide (2 ml, 20 mmol), and cooled to 0 °C. Trichloroethanol (5.75 ml, 60 mmol) was added dropwise, and after 30 minutes the reaction was allowed to warm to room temperature. After stirring at this temperature for 30 minutes, the reaction was heated to 40 °C, and over a period of 1 hour a white solid formed. The reaction was allowed to stir at 40 °C overnight. The solid was recrystallised from hot anhydrous dichloromethane, producing 5.2 g white crystals (11.4 mmol, 57 %). 1H NMR (500 MHz, CDCl3) δ (ppm) = 4.52 (s, 6H) 13C{1H} NMR (126 MHz, CDCl3) δ (ppm) = 97.0, 75.9. 11B NMR (160 MHz, CDCl3) δ (ppm) = 17.7. HRMS [C6H6BCl9O3+C2H5O]- : Calculated 500.7889, experimental 500.7893

Member of collection / collaboration

DOIDescription
10.14469/hpc/14865 NMR Data for compound 37. Borate Catalysts

Members

DOIDescription
10.14469/hpc/14825 NMR Data for 37e. tris(2,2,2-trichloroethyl) borate. 1H
10.14469/hpc/14827 NMR Data for 37e. tris(2,2,2-trichloroethyl) borate. 11B
10.14469/hpc/14826 NMR Data for 37e. tris(2,2,2-trichloroethyl) borate. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C6H6BCl9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2
Inchikey DHOHKUULWWCWOR-UHFFFAOYSA-N

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