POTASSIUM OCTYLTRIFLUOROBORATE

Base Information

• Chemical Name: POTASSIUM OCTYLTRIFLUOROBORATE
• CAS No.: 329976-79-6
• Molecular Formula: C8H17BF3.K
• Molecular Weight: 220.127
• Mol file: 329976-79-6.mol

Synonyms:POTASSIUM OCTYLTRIFLUOROBORATE;Potassium oct-1-yltrifluoroborate;Potassium octane-1-trifluoroborate

Chemical Property of POTASSIUM OCTYLTRIFLUOROBORATE

Chemical Property:

• Melting Point: 74-78℃
• PSA: 0.00000
• LogP: 4.19430

Purity/Quality:

98%,99%, ^*data from raw suppliers

Potassium octyltrifluoroborate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Reactant for:? ;Hydrolysis with silica gel and water for preparation of boronic acids and esters1? ;Suzuki-Miyaura cross-coupling2? ;Palladium-catalyzed Suzuki-Miyaura-type cross-coupling reaction with alkenyl bromides3? ;Hydrodeboration reactions4 Reactant for:Hydrolysis with silica gel and water for preparation of boronic acids and estersSuzuki-Miyaura cross-couplingPalladium-catalyzed Suzuki-Miyaura-type cross-coupling reaction with alkenyl bromidesHydrodeboration reactions

Technology Process of POTASSIUM OCTYLTRIFLUOROBORATE

There total 11 articles about POTASSIUM OCTYLTRIFLUOROBORATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

Trimethyl borate (121-43-7,63156-11-6) + octylmagnesium bromide (17049-49-9) → potassium trifluoro(n-octyl)borate (329976-79-6)

Guidance literature:

Trimethyl borate; octylmagnesium bromide; In tetrahydrofuran; at -78 - 0 ℃; for 1.83333h;

With potassium hydrogen difluoride; water; In tetrahydrofuran; at 0 - 20 ℃; for 1.16667h;

DOI:10.1002/anie.201201704

Reference yield: 35.0%

potassium hydrogen difluoride + 1-bromo-octane (111-83-1) + methyl borate → potassium trifluoro(n-octyl)borate (329976-79-6)

Guidance literature:

1-bromo-octane; With magnesium; In tetrahydrofuran; ethylene dibromide; for 3h; Inert atmosphere; Reflux;

methyl borate; In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;

potassium hydrogen difluoride; In water; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02221

Reference yield: 30.0%

potassium hydrogenfluoride (1279123-63-5) + Trimethyl borate (121-43-7,63156-11-6) + octylmagnesium bromide (17049-49-9) → potassium trifluoro(n-octyl)borate (329976-79-6)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; water; Mg compd. added to soln. of B compd. at -65--70°C dropwise within1.5 h, warmed to 20°C within 3 h, hydrolysed with aq. HCl, org. phase sepd., aq. phase extd. with ether, dried with MgSO4, dissolved in MeOH, reacted with aq. B compd.; after 5 min filtered, dried, extd. with hot acetone, solvent removed in vac., dried over P4O10;

DOI:10.1002/1521-3749(200205)628:4<883::AID-ZAAC883>3.0.CO;2-A

upstream raw materials:

potassium hydrogenfluoride

Trimethyl borate

octylmagnesium bromide

n-octylboronic acid

Downstream raw materials:

1-(4-methoxyphenyl)octane

n-octylboronic acid

5-n-octyl-8-hydroxyquinoline

octanol

Refernces

• 1、 Cheng, Li-Jie,Zhao, Siling,Mankad, Neal P.. "One-Step Synthesis of Acylboron Compounds via Copper-Catalyzed Carbonylative Borylation of Alkyl Halides**". supporting information. p. 2094 - 2098. Retrieved 2020/11/30.
• 2、 Weng, Wei-Zhi,Liang, Hao,Zhang, Bo. "Visible-Light-Mediated Aerobic Oxidation of Organoboron Compounds Using in Situ Generated Hydrogen Peroxide". supporting information. p. 4979 - 4983. Retrieved 2018/08/24.