2,4,5-Trifluorophenylboronic acid

Base Information

• Chemical Name: 2,4,5-Trifluorophenylboronic acid
• CAS No.: 247564-72-3
• Molecular Formula: C₆H₄BF₃O₂
• Molecular Weight: 175.903
• Hs Code.: 29319090
• European Community (EC) Number: 681-780-5
• DSSTox Substance ID: DTXSID20382451
• Nikkaji Number: J2.118.335K
• Wikidata: Q72513246
• Mol file: 247564-72-3.mol

Synonyms:2,4,5-Trifluorophenylboronic acid;247564-72-3;(2,4,5-trifluorophenyl)boronic Acid;2,4,5-trifluorobenzeneboronic acid;2,4,5-Trifluorophenylboronicacid;MFCD01863165;Boronic acid, (2,4,5-trifluorophenyl)-;BORONIC ACID, B-(2,4,5-TRIFLUOROPHENYL)-;SCHEMBL581257;DTXSID20382451;KCHHKNCSISEAAE-UHFFFAOYSA-N;AMY13315;AKOS005256560;AC-5389;PB42383;AS-55766;SY009073;A5070;BB 0260506;CS-0007601;FT-0644115;EN300-117468;J-506898;Z1021291372

Chemical Property of 2,4,5-Trifluorophenylboronic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00768mmHg at 25°C
• Melting Point: 100 °C(lit.)
• Refractive Index: 1.465
• Boiling Point: 257 °C at 760 mmHg
• PKA: 7.38±0.58(Predicted)
• Flash Point: 109.2 °C
• PSA: 40.46000
• Density: 1.44 g/cm³
• LogP: -0.21630
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.0256440
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trifluorobenzeneboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1F)F)F)(O)O
• Uses: 2,4,5-Trifluorophenylboronic Acid is a useful synthetic compound.

Technology Process of 2,4,5-Trifluorophenylboronic acid

There total 1 articles about 2,4,5-Trifluorophenylboronic 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: 70.0%

1-bromo-2,4,5-trifluorobenzene (327-52-6) → (2,4,5-trifluorophenyl)boronic acid (247564-72-3)

Guidance literature:

1-bromo-2,4,5-trifluorobenzene; With n-butyllithium; In hexane; at -78 ℃; for 1h; Inert atmosphere; Schlenk technique;

With Trimethyl borate; In hexane; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.7b02267

Reference yield: 92.0%

(6-benzyl-3-(((trifluoromethyl)sulfonyl)oxy)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)methyl pivalate + (2,4,5-trifluorophenyl)boronic acid (247564-72-3) → (6-benzyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)methyl pivalate

Guidance literature:

With potassium phosphate; C₃₃H₄₉P*C₁₂H₁₁N*Pd⁽²⁺⁾*Cl^(1-); In tetrahydrofuran; water; at 20 ℃; for 0.5h;

DOI:10.1021/jo5012015

Reference yield:

N-[(2-bromopyridin-4-yl)methyl]-N-cyclobutyl-1-methyl-1H-imidazole-4-carboxamide (1365812-37-8) + (2,4,5-trifluorophenyl)boronic acid (247564-72-3) → N-cyclobutyl-1-methyl-N-{[2-(2,4,5-trifluorophenyl)pyridin-4-yl]methyl}-1H-imidazole-4-carboxamide dihydrochloride

Guidance literature:

N-[(2-bromopyridin-4-yl)methyl]-N-cyclobutyl-1-methyl-1H-imidazole-4-carboxamide; (2,4,5-trifluorophenyl)boronic acid; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In ethanol; ethyl acetate; toluene; at 100 ℃; for 3h;

With hydrogenchloride; In water; acetonitrile;

upstream raw materials:

1-bromo-2,4,5-trifluorobenzene

Downstream raw materials:

2-chloro-4-fluoro-6-(2,4,5-trifluorophenyl)pyrimidine

Refernces