4-Fluoro-3-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 4-Fluoro-3-(trifluoromethyl)phenylboronic acid
• CAS No.: 182344-23-6
• Molecular Formula: C₇H₅BF₄O₂
• Molecular Weight: 207.92
• Hs Code.: 29319090
• European Community (EC) Number: 675-647-0
• DSSTox Substance ID: DTXSID90590203
• Wikidata: Q72511987
• Mol file: 182344-23-6.mol

Synonyms:182344-23-6;4-fluoro-3-(trifluoromethyl)phenylboronic acid;[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid;4-fluoro-3-trifluoromethylphenylboronic acid;(4-fluoro-3-(trifluoromethyl)phenyl)boronic acid;(4-fluoro-3-trifluoromethyl)benzeneboronic acid;4-fluoro-3-(trifluoromethyl)benzeneboronic acid;Boronic acid, B-[4-fluoro-3-(trifluoromethyl)phenyl]-;MFCD07363787;3-(Trifluoromethyl)-4-fluorophenylboronic acid;Boronic acid, [4-fluoro-3-(trifluoromethyl)phenyl]-;SCHEMBL206793;DTXSID90590203;BCP05478;AKOS004113804;AB30770;CS-W015250;AS-18172;BP-12125;SY017468;DB-028882;3-trifluoromethyl-4-fluorophenylboronic acid;AM20060973;F0830;4-fluoro-3-trifluoromethyl phenylboronic acid;4-fluoro-3-trifluoromethyl-phenyl-boronic acid;EN300-250790;4-fluoro-3-(trifluoromethyl) phenylboronic acid;A812683;[4-fluoranyl-3-(trifluoromethyl)phenyl]boronic acid;Z784890202;4-Fluoro-3-(trifluoromethyl)phenylboronic acid, AldrichCPR

Chemical Property of 4-Fluoro-3-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 170-174 °C
• Refractive Index: 1.446
• Boiling Point: 268.656 °C at 760 mmHg
• PKA: 7?+-.0.10(Predicted)
• Flash Point: 116.28 °C
• PSA: 40.46000
• Density: 1.44 g/cm³
• LogP: 0.52430
• Storage Temp.: Keep cold
• Solubility.: Soluble in methabnol.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 208.0318722
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3-trifluoromethylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-36/37/38
• Safety Statements: 26-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)F)C(F)(F)F)(O)O
• Uses: 4-Fluoro-3-(trifluoromethyl)benzeneboronic acid is used as an organic chemical synthesis intermediate. suzuki reaction

Technology Process of 4-Fluoro-3-(trifluoromethyl)phenylboronic acid

There total 1 articles about 4-Fluoro-3-(trifluoromethyl)phenylboronic 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:

5-bromo-2-fluorobenzotrifluoride (393-37-3) → 4-fluoro-3-(trifluoromethyl)phenylboronic acid (182344-23-6)

Guidance literature:

5-bromo-2-fluorobenzotrifluoride; With iodine; magnesium; In tetrahydrofuran; diethyl ether;

With Trimethyl borate; In tetrahydrofuran; diethyl ether;

DOI:10.1021/ma102093t

Reference yield: 99.4%

4-bromo-2-methylpyridine (22282-99-1) + 4-fluoro-3-(trifluoromethyl)phenylboronic acid (182344-23-6) → 4-(4-fluoro-3-trifluoromethyl-phenyl)-2-methylpyridine (1434817-74-9)

Guidance literature:

With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; potassium carbonate; In water; toluene; at 88 ℃; for 23h; Reflux;

Reference yield: 90.0%

2-bromo-2,2-difluoro-N-(m-tolylphenyl)acetamide + 4-fluoro-3-(trifluoromethyl)phenylboronic acid (182344-23-6) → 4-fluoro-N-(m-tolyl)-3-(trifluoromethyl)benzamide

Guidance literature:

With potassium fluoride; 5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene; copper(ll) bromide; magnesium chloride; for 8h; Inert atmosphere; Heating;

DOI:10.3390/molecules26102957

upstream raw materials:

5-bromo-2-fluorobenzotrifluoride

Downstream raw materials:

4'-fluoro-3'-trifluoromethyl-biphenyl-4-ol

4-(4-tert-butylsulfanyl-3-trifluoromethyl-phenyl)-2-methylpyridine

5-(5-(4-fluoro-3-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol

1-fluoro-2-(trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene

Refernces