NMR Data for compound 37c. tris(2,4,6-trichlorophenyl) borate

Created: 2024-11-01 15:36

Last modified: 2025-02-09 17:03

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Tris(2,4,6-trichlorophenyl) borate was prepared by a modified literature procedure4. In a flame dried Schlenk tube, 2,4,6-trichlorophenol (5.33 g, 27 mmol) was dissolved in anhydrous dichloromethane (40 ml). The solution was cooled with a dry ice/acetonitrile bath (-41 °C), causing the phenol to precipitate, and neat boron tribromide (690 μl, 9 mmol) was added dropwise (HBr is evolved, and should be trapped by bubbling through NaOH solution. A homogenous solution was formed on addition of the BBr3). After 45 minutes reaction, the cold bath was replaced with an ice/water bath (further HBr evolution on warming), and after a further 45 minutes reaction this was removed and the flask allowed to warm to room temperature. After 45 minutes at room temperature, the solvent was removed under reduced pressure, and the product was isolated by recrystallisation from a saturated solution in DCM. Yield = 2.02 g white crystals, 37%. 1H NMR (500 MHz, CDCl3) δ (ppm) = 7.35 (s, 6H) 13C{1H} NMR (126 MHz, CDCl3) δ (ppm) = 144.4, 130.1, 128.6, 127.9. 11B NMR (160 MHz, CDCl3) δ (ppm) = 15.5 HRMS [C18H6BCl9O3]- : Calculated 599.7542, observed 599.7542

Member of collection / collaboration

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

Members

DOI	Description
10.14469/hpc/14859	NMR Data for 37c. tris(2,4,6-trichlorophenyl) borate. 1H
10.14469/hpc/14860	NMR Data for 37c. for tris(2,4,6-trichlorophenyl) borate. 13C
10.14469/hpc/14861	NMR Data for 37c. tris(2,4,6-trichlorophenyl) borate. 11B

Associated DOIs

Current dataset ...	DOI	Description
References	10.1039/JR9560003006	Preparation, stability, and complex formation of aryloxyboron compounds

Subject Keywords

Keyword	Value
Inchi	InChI=1S/C18H6BCl9O3/c20-7-1-10(23)16(11(24)2-7)29-19(30-17-12(25)3-8(21)4-13(17)26)31-18-14(27)5-9(22)6-15(18)28/h1-6H
Inchikey	IBUVGMIEMWSWHK-UHFFFAOYSA-N

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