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387827-64-7

Basic Information
CAS No.: 387827-64-7
Name: 2-(2,4-difluorophenyl)-5-(trifluoroMethyl)pyridine
Article Data: 20
Molecular Structure:
Molecular Structure of 387827-64-7 (2-(2,4-difluorophenyl)-5-(trifluoroMethyl)pyridine)
Formula: C12H6F5N
Molecular Weight: 259.178
Synonyms: 5-(trifluoromethyl)-2-(2,4-difluorophenyl)pyridine;Pyridine,2-(2,4-difluorophenyl)-5-(trifluoromethyl);2-(2,4-difluorophenyl)-5-trifluoromethylpyridine;
Density: 1.364±0.06 g/cm3(Predicted)
Melting Point: 59.0-62.1°C
Boiling Point: 253.4±35.0 °C(Predicted)
PSA: 12.89000
LogP: 4.04560
Synthetic route

potassium (2,4-difluorophenyl)trifluoroborate

50488-42-1

2-bromo-5-(trifluoromethyl)pyridine

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 24h; Suzuki Coupling; Inert atmosphere; Sealed tube;98%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 24h;98%
144025-03-6

2,4-difluorophenylboronic acid

50488-42-1

2-bromo-5-(trifluoromethyl)pyridine

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 36h; Reflux; Inert atmosphere;95%
With potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II) In tetrahydrofuran; water at 40℃; for 4h; Inert atmosphere;95%
With palladium diacetate; potassium carbonate; triphenylphosphine In ethanol; water; toluene Inert atmosphere; Reflux;86%
52334-81-3

2-chloro-5-trifluoromethylpyridine

144025-03-6

2,4-difluorophenylboronic acid

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
With PdCl(dppb)(C3H5); potassium carbonate In methanol; water; toluene at 110℃; for 16h; Inert atmosphere; Schlenk technique;82%
With palladium diacetate; potassium carbonate; triphenylphosphine In 1,2-dimethoxyethane Suzuki Coupling; Inert atmosphere; Reflux;79%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene; benzene for 48h; Inert atmosphere;77%

ammonium hexafluorophosphate

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

870987-64-7

bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III)

bis[2’’-(2’’’,4’’’-difluorophenyl)-5’’-trifluoromethylpyridine](2,2’-bipyridine)iridium(III)

Conditions
ConditionsYield
Stage #1: 2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine; bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III) In ethylene glycol at 150℃;
Stage #2: ammonium hexafluorophosphate In dichloromethane; ethylene glycol Further stages;
95%
387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

iridium(III) chloride n-hydrate

870987-64-7

bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III)

Conditions
ConditionsYield
In 2-ethoxy-ethanol; water at 150℃; for 16h; Inert atmosphere;86%
In 2-ethoxy-ethanol; water at 120℃; for 20h; Inert atmosphere;84%
In 2-ethoxy-ethanol; water at 120℃; Inert atmosphere;70%
387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

iridium(III) chloride monohydrate

870987-64-7

bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III)

Conditions
ConditionsYield
In 2-ethoxy-ethanol; water at 150℃; for 16h; Inert atmosphere;86%
In 2-ethoxy-ethanol; water at 135℃; Inert atmosphere;81%
In 2-ethoxy-ethanol; water at 120℃;70%
In 2-ethoxy-ethanol; water at 120℃; Inert atmosphere;
In 2-ethoxy-ethanol; water at 100℃; for 24h;

iridium(III) chloride

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

870987-64-7

bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III)

Conditions
ConditionsYield
In 2-ethoxy-ethanol; water at 150℃; for 16h; Inert atmosphere;86%
In 2-methoxy-ethanol; water at 120℃; Inert atmosphere;

iridium(III) chloride hydrate

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

870987-64-7

bis-(μ)-chlorotetrakis[2-(2’,4’-difluorophenyl)-5-trifluoromethylpyridinato]-(C2,N)diiridium(III)

Conditions
ConditionsYield
In 2-methoxy-ethanol; water mixt. of 2.1 equiv. of pyridine deriv. and iridium compd. (ratio = 3:1) in 2-methoxyethanol/water heated at 125°C for 18 h; cooling, addn. of water, solid vac.-filtered, washed with water and hexane, dried under vac.;

iridium(III) chloride trihydrate

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

870987-64-7

[Ir(CF3(C5H3N)(C6H2F2))2Cl]2

Conditions
ConditionsYield
In 2-ethoxy-ethanol; water org. ligand (2.2 equiv.) and IrCl3*3H2O (1 equiv.) in 2-ethoxyethanol:H2O (3:1) refluxed (24 h); ppt. collected by filtration; washed with H2O and Et2O;
17084-13-8

potassium hexafluorophosphate

37366-09-9

dichloro(benzene)ruthenium(II) dimer

387827-64-7

2-(2',4'-difluorophenyl)-5-(trifluoromethyl)pyridine

75-05-8

acetonitrile

1392046-22-8

[Ru(2-(2,4-difluorophenyl)-5-trifluoromethylpyridine)(acetonitrile)4]PF6

Conditions
ConditionsYield
With NaOH In acetonitrile under N2, 45°C, 15 h; filtered on Al2O3 (CH2Cl2/MeCN as eluent), yellow fraction dried (vac.),dissolved in CH2Cl2, pptd. by Et2O/hexane; elem. anal.;
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    Product Name: 2-(2,4-difluorophenyl)-5-(trifluoroMethyl)pyridine Synonyms: Pyridine, 2-(2,4-difluorophenyl)-5-(trifluoromethyl)-;2-(2,4-DIFLUOROPHENYL)-5-(TRIFLUOROMETHYL)PYRIDINE,98%DF(CF3)PPY;2-(2,4-difluorophenyl)-5-(trifluoroMethyl)pyridine

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