2-FLUORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID

Base Information

• Chemical Name: 2-FLUORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID
• CAS No.: 503309-10-2
• Molecular Formula: C7H5 B F4 O3
• Molecular Weight: 223.92
• Hs Code.: 2931900090
• Mol file: 503309-10-2.mol

Synonyms:Boronicacid, [2-fluoro-4-(trifluoromethoxy)phenyl]- (9CI);(2-Fluoro-4-trifluoromethoxyphenyl)boronic acid;2-Fluoro-4-trifluoromethoxybenzeneboronic acid

Chemical Property of 2-FLUORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID

Chemical Property:

• Melting Point: 114-116 °C(Solv: pentane (109-66-0))
• Boiling Point: 244.2±50.0 °C(Predicted)
• PKA: 8.09±0.58(Predicted)
• PSA: 49.69000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 0.40410
• Storage Temp.: Room temperature.

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-trifluoromethoxyphenyl Boronic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Fluoro-4-trifluoromethoxyphenylboronic Acid is useful in the synthesis of novel series of 3-benzyl-1,3-oxazolidin-2-ones as a mGluR2 positive allosteric modulators.

Technology Process of 2-FLUORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID

There total 2 articles about 2-FLUORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID 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: 75.0%

1-bromo-2-fluoro-4-(trifluoromethoxy)benzene (168971-68-4) → (2-fluoro-4-(trifluoromethoxy)phenyl)boronic acid (503309-10-2)

Guidance literature:

1-bromo-2-fluoro-4-(trifluoromethoxy)benzene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; toluene; at -78 - -20 ℃; for 6.5h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; hexane; water; toluene; at -20 - 20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1021/jm101288t

Reference yield: 41.0%

1-bromo-2-fluoro-4-(trifluoromethoxy)benzene (168971-68-4) + Triisopropyl borate (5419-55-6) → (2-fluoro-4-(trifluoromethoxy)phenyl)boronic acid (503309-10-2)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran;

Reference yield: 94.0%

(2-fluoro-4-(trifluoromethoxy)phenyl)boronic acid (503309-10-2) + benzoyl chloride (98-88-4) → 2-fluoro-4-trifluoromethoxybenzophenone

Guidance literature:

With C₁₇H₁₆Br₂N₄Pd; potassium carbonate; In toluene; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d1ra07231e

upstream raw materials:

1-bromo-2-fluoro-4-(trifluoromethoxy)benzene

Triisopropyl borate

Downstream raw materials:

C₁₇H₁₄F₄N₂O₃

C₁₂H₁₃F₄NO

Refernces

• 1、 Kmentova, Iveta,Sutherland, Hamish S.,Palmer, Brian D.,Blaser, Adrian,Franzblau, Scott G.,Wan, Baojie,Wang, Yuehong,Ma, Zhenkun,Denny, William A.,Thompson, Andrew M.. "Synthesis and structure-activity relationships of aza- and diazabiphenyl analogues of the antitubercular drug (6 S)-2-nitro-6-{[4-(trifluoromethoxy) benzyl]oxy}-6,7-dihydro-5 H-imidazo[2,1-b][1,3]oxazine (PA-824)". supporting information; experimental part. p. 8421 - 8439. Retrieved 2011/02/21.