3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%

Base Information

• Chemical Name: 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%
• CAS No.: 935685-88-4
• Molecular Formula: C13H15BFNO2
• Molecular Weight: 247.077
• Hs Code.: 2934999090
• Mol file: 935685-88-4.mol

Synonyms:3-fluoro-5-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)benzonitrile;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile;3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile;

Chemical Property of 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%

Chemical Property:

• Boiling Point: 340.2±32.0 °C(Predicted)
• PSA: 42.25000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.99658
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%

There total 1 articles about 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96% 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: 100.0%

bis(pinacol)diborane (73183-34-3) + 3-bromo-5-fluorobenzonitrile (179898-34-1) → 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile (935685-88-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 100 ℃; for 18h; Inert atmosphere;

Reference yield: 93.0%

m-bromobenzoic aldehyde (3132-99-8) + α-naphthol (90-15-3) + 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile (935685-88-4) + malononitrile (109-77-3) → 2-amino-4-(3'-cyano-5'-fluoro-[1,1'-biphenyl]-3-yl)-4H-benzo[h]chromene-3-carbonitrile (1343978-35-7)

Guidance literature:

With pyrrolidine; bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; at 0 - 70 ℃;

DOI:10.1016/j.bmcl.2011.08.088

Reference yield: 82.0%

nitromethane (75-52-5) + 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile (935685-88-4) + ethyl acetoacetate (141-97-9) + 4-bromo-benzaldehyde (1122-91-4) + benzylamine (100-46-9) → ethyl 1-benzyl-4-(3'-cyano-5'-fluoro-[1,1'-biphenyl]-4-yl)-2-methyl-1H-pyrrole-3-carboxylate (1318763-80-2)

Guidance literature:

nitromethane; ethyl acetoacetate; 4-bromo-benzaldehyde; benzylamine; With bis-triphenylphosphine-palladium(II) chloride; at 80 - 85 ℃; for 4h; Inert atmosphere; Neat (no solvent);

3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile; With potassium carbonate; In 1,4-dioxane; water; at 80 - 85 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c1cc12321a

upstream raw materials:

bis(pinacol)diborane

3-bromo-5-fluorobenzonitrile

Downstream raw materials:

STX-107

C₂₄H₂₅FN₄O₂

C₂₅H₂₅FN₄O₂

ethyl 1-benzyl-4-(3'-cyano-5'-fluoro-[1,1'-biphenyl]-4-yl)-2-methyl-1H-pyrrole-3-carboxylate

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