2-Fluoro-5-(trifluoromethyl)phenylboronic acid

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethyl)phenylboronic acid
• CAS No.: 352535-96-7
• Molecular Formula: C7H5BF4O2
• Molecular Weight: 207.92
• Hs Code.: 29319090
• European Community (EC) Number: 672-930-0
• DSSTox Substance ID: DTXSID30376881
• Nikkaji Number: J2.752.049I
• Wikidata: Q72477543
• Mol file: 352535-96-7.mol

Synonyms:352535-96-7;2-Fluoro-5-(trifluoromethyl)phenylboronic acid;(2-Fluoro-5-(trifluoromethyl)phenyl)boronic acid;2-fluoro-5-(trifluoromethyl)benzeneboronic acid;[2-fluoro-5-(trifluoromethyl)phenyl]boronic Acid;2-fluoro-5-trifluoromethylphenylboronic acid;MFCD03701538;2-fluoro-5-(trifluoromethyl)boronic acid;BORONIC ACID, [2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]-;SCHEMBL319539;DTXSID30376881;AKOS000285060;AB15784;AM86896;CS-W015251;AS-17793;BP-12150;SY009437;F0788;FT-0644497;2-Fluoro-5-(trifluoromethyl)phenylboronicacid;2-fluoro-5-trifluoromethyl-phenyl-boronic acid;EN300-190909;2-fluoro-5 (trifluoromethyl)-phenylboronic acid;[2-fluoro-5-(trifluoromethyl)phenyl]-boronic acid;A822694;J-509436;Z1080459848

Chemical Property of 2-Fluoro-5-(trifluoromethyl)phenylboronic acid

Chemical Property:

• Appearance/Colour: Off-white Cryst
• Vapor Pressure: 0.00551mmHg at 25°C
• Melting Point: 104-109 °C(lit.)
• Refractive Index: 1.445
• Boiling Point: 262.415 °C at 760 mmHg
• PKA: 7.35±0.58(Predicted)
• Flash Point: 112.505 °C
• PSA: 40.46000
• Density: 1.443 g/cm³
• LogP: 0.52430
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• 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

2-Fluoro-5-trifluoromethylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi，Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)F)(O)O
• Uses: suzuki reaction Reactant for:Functionalization via lithiation and reaction with electrophilesSelective rhodium-catalyzed conjugate addition reactionsPreparation of inhibitors of kinesin spindle protein (KSP) for potential use as antitumor agents

Technology Process of 2-Fluoro-5-(trifluoromethyl)phenylboronic acid

There total 3 articles about 2-Fluoro-5-(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: 24.0%

→ 2-fluoro-5-(trifluoromethyl)phenylboronic acid (352535-96-7)

Guidance literature:

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + Trimethyl borate (121-43-7,63156-11-6) + 2-fluoro-(5-trifluoromethyl)phenyl lithium (1232367-11-1) → 2-fluoro-5-(trifluoromethyl)phenylboronic acid (352535-96-7)

Guidance literature:

Trimethyl borate; 2-fluoro-(5-trifluoromethyl)phenyl lithium; With Bis<2-(N,N-dimethylamino)aethyl>aether; In hexane; at -15 - 20 ℃; Inert atmosphere;

hydrogenchloride; In hexane; water; at 20 ℃; Product distribution / selectivity;

Reference yield:

4-Fluorobenzotrifluoride (402-44-8) → 2-fluoro-5-(trifluoromethyl)phenylboronic acid (352535-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Bis<2-(N,N-dimethylamino)aethyl>aether / hexane / 1.5 h / -15 - -5 °C / Inert atmosphere

2.1: Bis<2-(N,N-dimethylamino)aethyl>aether / hexane / -15 - 20 °C / Inert atmosphere

2.2: 20 °C

With Bis<2-(N,N-dimethylamino)aethyl>aether; In hexane;

upstream raw materials:

hydrogenchloride

Trimethyl borate

2-fluoro-(5-trifluoromethyl)phenyl lithium

4-Fluorobenzotrifluoride

Downstream raw materials:

3-{6-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridinyl}-2,6-dimethyl-4H-pyran-4-one

2-(2-butyl-5-(trifluoromethyl)phenyl)pyridine

Refernces

• 1、 -. "Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles". . . Retrieved 2008/06/13.