2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoroMethyl)benzonitrile

Base Information

• Chemical Name: 2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoroMethyl)benzonitrile
• CAS No.: 863868-28-4
• Molecular Formula: C₁₄H₁₅BF₃NO₂
• Molecular Weight: 297.085
• Hs Code.: 2934999090
• Mol file: 863868-28-4.mol

Synonyms:2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) BENZONITRILE;

Chemical Property of 2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoroMethyl)benzonitrile

Chemical Property:

• Melting Point: 79-80 °C
• Boiling Point: 369.5±42.0 °C(Predicted)
• PSA: 42.25000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.87628
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-5-(trifluoromethyl)phenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoroMethyl)benzonitrile

There total 4 articles about 2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoroMethyl)benzonitrile 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: 90.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 4-CF3C6H4CN (455-18-5) → 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile (863868-28-4)

Guidance literature:

4-CF₃C₆H₄CN; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 4h; Inert atmosphere;

2,3-dimethyl-2,3-butane diol; With acetic acid; In tetrahydrofuran; hexane; for 1h;

DOI:10.1016/j.tet.2010.05.014

Reference yield: 68.0%

4-CF3C6H4CN (455-18-5) + bis(pinacol)diborane (73183-34-3) → 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile (863868-28-4)

Guidance literature:

With catalyst:[Ir(OMe)(COD)]2:4,4'di-tBu-2,2'-bipyridin; In tetrahydrofuran; 1.1 equiv. of borane reacted with 4-substituted benzonitrile in THF at 25°C with (Ir(OMe)(COD))2:4,4'-di-tert-butyl-2,2'-bipyridine (1:2)catalyst system (Ir 3 mol%) for 24 h;

DOI:10.1021/ja0428309

Reference yield: 68.0%

4-CF3C6H4CN (455-18-5) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile (863868-28-4)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1021/ja0428309

upstream raw materials:

4-CF₃C₆H₄CN

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

bis(pinacol)diborane

2,3-dimethyl-2,3-butane diol

Downstream raw materials:

2'-fluoro-5-trifluoromethylbiphenyl-2-carbonitrile

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