Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate

Base Information

• Chemical Name: Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
• CAS No.: 1150271-61-6
• Molecular Formula: C15H18BF3O4
• Molecular Weight: 330.112
• Hs Code.: 2934999090
• Mol file: 1150271-61-6.mol

Synonyms:Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate;3-(Methoxycarbonyl)-5-trifluoromethylphenylboronic acid, pinacol ester

Chemical Property of Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate

Chemical Property:

• Boiling Point: 380.1±42.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 2.79120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-(Methoxycarbonyl)-5-trifluoromethylphenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate

There total 2 articles about Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate 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:

3-trifluoromethylbenzoic acid methyl ester (2557-13-3) + bis(pinacol)diborane (73183-34-3) → methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate (1150271-61-6)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In hexane; at 20 ℃; regioselective reaction;

DOI:10.3987/COM-18-S(F)72

Reference yield:

3-bromo-5-(trifluoromethyl)benzoic acid (328-67-6) → methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate (1150271-61-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 0.17 h / 20 °C

2: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 2 h / 90 °C / Inert atmosphere

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In diethyl ether; N,N-dimethyl-formamide;

Reference yield: 63.0%

methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate (1150271-61-6) + 5-bromo-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)-1H-pyrrole-3-carboxamide (1442432-65-6) → methyl 3-(1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)-1H-pyrrol-2-yl)-5-(trifluoromethyl)benzoate (1442425-35-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammomium bromide; potassium carbonate; In 1,4-dioxane; water; at 100 ℃; for 1.5h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

3-bromo-5-(trifluoromethyl)benzoic acid

3-trifluoromethylbenzoic acid methyl ester

bis(pinacol)diborane

Downstream raw materials:

methyl 3-(1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)-1H-pyrrol-2-yl)-5-(trifluoromethyl)benzoate

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