NMR data for compound 37d. tris(2,2,3,3,4,4,5,5-octafluoropentyl) borate

DOI: 10.14469/hpc/14728 Metadata

Created: 2024-11-01 15:35

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 (2.1 ml, 21 mmol), and cooled to 0 °C. 1H,1H,5H-octafluoro-1-pentanol (9 ml, 15.1g, 65 mmol) was added dropwise, and the reaction stirred overnight. The solution was then transferred to a distillation apparatus with the aid of 5 ml anhydrous pentane and volatiles were removed under reduced pressure. The product was distilled (111-115 °C, 2 mbar) to give a colourless oil. Yield = 13.27g, 18.85 mmol, 87%. 1H NMR (400 MHz, CDCl3) δ (ppm) = 6.01 (tt, J = 52.0, 5.4 Hz, 3H), 4.34 (t, J = 13.3 Hz, 6H). 13C{1H} NMR (176 MHz, CDCl3) δ (ppm) = 114.6 (tt, J = 256.5, 30.6 Hz), 111.0 (tddd, J = 264.4, 33.8, 30.9, 2.5 Hz), 110.2 (tddd, J = 263.7, 31.3, 26.8, 4.8 Hz), 107.7 (tt, J = 253.9, 30.9 Hz). 11B NMR (128 MHz, CDCl3) δ (ppm) = 17.7 19F{1H} NMR (376 MHz, CDCl3) δ (ppm) = -122.04 (m, 6F), -125.83 (m, 6F), -130.63 (m, 6F), -137.75 (m, 6F). HRMS [C15H9BF24O3]- : Calculated 704.0267, observed 704.0273

Member of collection / collaboration

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

Members

DOIDescription
10.14469/hpc/14828 NMR data for 37d. tris(2,2,3,3,4,4,5,5-octafluoropentyl) borate. 1H
10.14469/hpc/14831 NMR data for 37d. tris(2,2,3,3,4,4,5,5-octafluoropentyl) borate. 19F
10.14469/hpc/14830 NMR data for 37d. tris(2,2,3,3,4,4,5,5-octafluoropentyl) borate. 11B
10.14469/hpc/14829 NMR data for 37d. tris(2,2,3,3,4,4,5,5-octafluoropentyl) borate. 13C

Subject Keywords

KeywordValue
Inchi InChI=1S/C15H9BF24O3/c17-4(18)10(29,30)13(35,36)7(23,24)1-41-16(42-2-8(25,26)14(37,38)11(31,32)5(19)20)43-3-9(27,28)15(39,40)12(33,34)6(21)22/h4-6H,1-3H2
Inchikey GBVYAUKGGSNPNA-UHFFFAOYSA-N

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