3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

Base Information

• Chemical Name: 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
• CAS No.: 1218790-40-9
• Molecular Formula: C10H16BF3N2O3
• Molecular Weight: 262.04
• Hs Code.: 2934999090
• Mol file: 1218790-40-9.mol

Synonyms:3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester;PC5494;4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3-trifluoromethyl-1H-pyrazole;

Chemical Property of 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

Chemical Property:

• Melting Point: 151-155°C
• Boiling Point: 347.4±42.0 °C(Predicted)
• PKA: 9.92±0.50(Predicted)
• PSA: 47.14000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 1.72770
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

[3-(Trifluoromethyl)-1H-pyrazol-4-yl]boronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: [3-(Trifluoromethyl)-1H-pyrazol-4-yl]boronic Acid Pinacol Ester is a chemical reagent used in the synthesis of carboxamides used in the treatment of lymphomas, psoriasis and endometriosis.

Technology Process of 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

There total 1 articles about 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester 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:

4-iodo-3-(trifluoromethyl)-1H-pyrazole (866638-72-4) + bis(pinacol)diborane (73183-34-3) → 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-40-9)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In N,N-dimethyl-formamide; at 90 ℃; for 2h;

Reference yield: 82.0%

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-40-9) + 8-bromo-4-methyl-2-phenyl-4H-pyrazolo[1,5-a]quinazolin-5-one → 4-methyl-2-phenyl-8-(3-trifluoromethyl-1H-pyrazol-4-yl)-4H-pyrazolo[1,5-a]quinazolin-5-one

Guidance literature:

With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 150 ℃; for 1h; Microwave irradiation; Inert atmosphere;

Reference yield: 79.0%

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (1218790-40-9) + benzyl 3-((4-bromophenyl)thio)-3-(4-methoxyphenyl)azetidine-1-carboxylate → benzyl 3-(4-methoxyphenyl)-3-((4-(3-(trifluoromethyl)-1H-pyrazol-4-yl)phenyl)thio)azetidine-1-carboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 100 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.joc.9b00613

upstream raw materials:

4-iodo-3-(trifluoromethyl)-1H-pyrazole

bis(pinacol)diborane

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