HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT

Base Information

• Chemical Name: HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT
• CAS No.: 119009-98-2
• Molecular Formula: C₁₈H₂₅BBr₃N₆*K
• Molecular Weight: 615.058
• Mol file: 119009-98-2.mol

Synonyms:Borate(1-),tris[4-bromo-3-(1-methylethyl)-1H-pyrazolato-N1]hydro-, potassium, (T-4)-;1H-Pyrazole, 4-bromo-3-(1-methylethyl)-, boron complex; PotassiumHydrotris(3-isopropyl-4-bromopyrazolyl)borate; Potassiumhydrotris(4-bromo-3-isopropylpyrazolyl)borate(1-)

Chemical Property of HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT

Chemical Property:

• Melting Point: 104-106 °C
• PSA: 81.15000
• LogP: 4.33720

Purity/Quality:

98%min ^*data from raw suppliers

HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT

There total 5 articles about HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT 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: 67.0%

potassium borohydride + 4-bromo-3-isopropyl-1H-pyrazole (60061-60-1) → potassium hydrotris(3-isopropyl-4-bromopyrazol-1-yl)borate (119009-98-2)

Guidance literature:

In melt; byproducts: H2; KBH4 and isopropylbromopyrazole (0,28:1,43 mol) were heated with stirring until H2 were evolved, residue was distd. at 185-190°C and 0,3 Torr, residue was stirred with hexane; solid filtered and washed with hexane; elem. anal.;

Reference yield: 46.0%

4-bromo-3-isopropyl-1H-pyrazole (60061-60-1) → potassium hydrotris(3-isopropyl-4-bromopyrazol-1-yl)borate (119009-98-2)

Guidance literature:

With potassium borohydride; at 125 - 180 ℃; for 15h; Inert atmosphere;

DOI:10.1016/j.poly.2011.04.023

Reference yield: 46.0%

potassium borohydride + 3-isopropyl-4-bromopyrazole → potassium hydrotris(3-isopropyl-4-bromopyrazol-1-yl)borate (119009-98-2)

Guidance literature:

In neat (no solvent); byproducts: H2, KB(C3HN2Br(C3H7))4, KBH2(C3HN2Br(C3H7))2; (N2, Schlenk technique); addn. of 1 equiv. of KBH4 to 5 equiv. of pyrazole deriv., heating at 125°C for 5 h and then at 180°C for 10 h; distn. of pyrazole deriv. at 185°C under vac., cooling, mixing with hexane, stirring, filtration, washing with hexane;

DOI:10.1016/j.poly.2011.04.023

upstream raw materials:

4-bromo-3-isopropyl-1H-pyrazole

3-methyl-butan-2-one

3-isopropyl-1H-pyrazole

Refernces

• 1、 Trofimenko, Swiatoslaw,Calabrese, Joseph C.,Domaille, Peter J.,Thompson, Jeffery S.. "Steric effects in polypyrazolylborate ligands. Poly(3-isopropylpyrazolyl)borates: Ligands of intermediate steric requirements". . p. 1091 - 1101. Retrieved 2008/10/08.