2,6-difluorobenzamide
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With Triethoxysilane; o-Ph2P(C6H4)Si(Me)2Fe(H)(PMe3)3 In tetrahydrofuran at 60℃; for 24h; Schlenk technique; | 99% |
With diphenylsilane; FeH(PMe3)2(SiPh(NCH2PPh2)2C6H4) In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Inert atmosphere; | 90% |
With Triethoxysilane; [cis-Fe(H)(SPh)(PMe3)4] In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; | 87% |
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
In 1,4-dioxane at 100℃; for 2h; Kinetics; Solvent; Temperature; Inert atmosphere; Schlenk technique; Sealed tube; | 99% |
Conditions | Yield |
---|---|
Stage #1: 2,6-dichloro-benzonitrile With 1-Ethylpyridinium chloride In dimethyl sulfoxide; toluene at 110℃; for 2h; Stage #2: With potassium fluoride In dimethyl sulfoxide; toluene at 90 - 150℃; for 15h; Reagent/catalyst; Temperature; Solvent; | 98.34% |
With potassium fluoride; tetrabutylammomium bromide at 170℃; for 12h; | 91% |
With potassium fluoride; immobilized pyridinium salt In sulfolane at 180℃; for 4h; | 82% |
Conditions | Yield |
---|---|
In dichloromethane-d2 at 25℃; for 3h; Glovebox; | A 96% B n/a |
2,6-dichloro-benzonitrile
tetrakis(diethylamino)phosphonium bromide
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With potassium fluoride; dimethyl sulfoxide In sulfolane; chlorobenzene | 93% |
2,6-dichloro-benzonitrile
tetrakis(diethylamino)phosphonium bromide
4-Fluoronitrobenzene
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With potassium fluoride In sulfolane; chlorobenzene | 91% |
Conditions | Yield |
---|---|
With C22H48FeOP4 In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique; | A 75% B n/a |
2-chloro-6-nitrobenzonitrile
A
2-chloro-6-fluorobenzonitrile
B
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With biphenyl; tetramethylammonium fluoride In N,N-dimethyl acetamide at 60℃; for 0.666667h; | A 72% B 5% |
With tetrabutyl ammonium fluoride In tetrahydrofuran for 1.5h; Ambient temperature; | A 75 % Chromat. B 25 % Chromat. |
2,6-difluoro-benzaldehyde oxime
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With N-methyl-N,N,N-triethylammonium methylsulfate In acetonitrile at 22℃; Electrolysis; | 47% |
1,3-Difluorobenzene
N,N-dimethyl-formamide
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
Stage #1: 1,3-Difluorobenzene With lithium diisopropyl amide In tetrahydrofuran at 20℃; for 2h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 0℃; for 2h; Stage #3: With ammonia; iodine In tetrahydrofuran; water at 0 - 20℃; for 2h; | 42% |
C7H2F3N(1-)
A
2,6 difluorobenzonitrile
B
3,3',5,5'-tetrafluoro-[1,1'-biphenyl]-4,4'-dicarbonitrile
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide Rate constant; kfr; |
Conditions | Yield |
---|---|
With air; ammonia; water; V-8Ti-xO at 250℃; Product distribution; various temperatures, other catalyst; |
Conditions | Yield |
---|---|
With tetramethylammonium hydrogen difluoride In N,N-dimethyl acetamide at 120℃; for 3h; | 77 % Chromat. |
2-chloro-6-nitrobenzonitrile
A
2-chloro-6-fluorobenzonitrile
B
2,6 difluorobenzonitrile
C
3-chloro-2-cyanophenol
D
2-Fluoro-6-hydroxybenzonitrile
Conditions | Yield |
---|---|
With tetramethylammonium fluoride In dimethyl sulfoxide at 100℃; for 1h; Fluorination; |
2-chloro-6-fluorobenzonitrile
A
2,6 difluorobenzonitrile
B
3-chloro-2-cyanophenol
C
2-Fluoro-6-hydroxybenzonitrile
Conditions | Yield |
---|---|
With tetramethylammonium fluoride In dimethyl sulfoxide at 100℃; for 0.5h; Fluorination; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: tetramethylammonium fluoride / dimethylsulfoxide / 1 h / 100 °C 2: tetramethylammonium fluoride / dimethylsulfoxide / 0.5 h / 100 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: (i) nBuLi, (ii) /BRN= 1900390/ 2: SOCl2 3: NH3 4: SOCl2 / dimethylformamide View Scheme |
2,6-difluorobenzoylchloride
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NH3 2: SOCl2 / dimethylformamide View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: SOCl2 2: NH3 3: SOCl2 / dimethylformamide View Scheme |
2,6-dichloro-benzonitrile
A
2-chloro-6-fluorobenzonitrile
B
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With potassium fluoride; 1-butyl-3-methylimidazolium tetrafluoroborate In sulfolane at 180℃; for 18h; Product distribution / selectivity; | A 45 %Chromat. B 52 %Chromat. |
1-butyl-3-methylimidazolium hexafluorophosphate In sulfolane at 180℃; for 18h; Product distribution / selectivity; | A 79 %Chromat. B 19 %Chromat. |
Conditions | Yield |
---|---|
With potassium fluoride In 5,5-dimethyl-1,3-cyclohexadiene |
Conditions | Yield |
---|---|
With potassium fluoride In 5,5-dimethyl-1,3-cyclohexadiene |
3-chloro-2,6-difluorobenzonitrile
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With sodium hydroxide; palladium-carbon catalyst In water |
2,4,6-trifluorobenzonitrile
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With Dimethylphenylsilane; o-phenylenebis(diphenylphosphine); potassium tert-butylate; copper(l) chloride In tetrahydrofuran for 12h; Inert atmosphere; Reflux; regioselective reaction; | 100 %Spectr. |
2,6-difluorobenzylamine
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With copper(l) iodide; oxygen In dichloromethane at 20℃; under 760.051 Torr; for 6h; Sealed tube; | 74 %Spectr. |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In N,N-dimethyl-formamide at 40℃; for 3h; Sealed tube; Green chemistry; |
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
In 1,4-dioxane at 65℃; Kinetics; Inert atmosphere; Schlenk technique; Sealed tube; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: phosphorus pentachloride; chlorine / 150 °C 2: acetic acid; zinc(II) chloride; hydroxylamine hydrochloride; sodium acetate / 8 h / Reflux 3: potassium fluoride; tetrabutylammomium bromide / 12 h / 170 °C View Scheme |
2,6 difluorobenzonitrile
2,6-difluorobenzamide
Conditions | Yield |
---|---|
With water; nitrile hydratase from Rhodococcus rhodochrous J1 at 25℃; for 22h; KH2PO4-K2HPO4 puffer pH=8.0; | 100% |
With dihydrogen peroxide; sodium hydroxide at 50℃; for 5h; Temperature; | 91.2% |
With sulfuric acid at 70℃; for 4h; | 90% |
2,6 difluorobenzonitrile
sodium methylate
2-fluoro-6-methoxybenzonitrile
Conditions | Yield |
---|---|
In methanol at 0 - 20℃; | 99% |
In methanol at 0℃; | 86% |
In methanol at 0 - 20℃; |
2,6 difluorobenzonitrile
2-amino-6-fluorobenzonitrile
Conditions | Yield |
---|---|
With ammonia In dimethyl sulfoxide at 80℃; for 80h; closed bottle; | 99% |
With ammonia In ethanol at 140℃; under 10343.2 Torr; for 6h; | 97% |
With ammonia In dimethyl sulfoxide at 80 - 120℃; | 97.5% |
2,6 difluorobenzonitrile
2,2-bis(4-hydroxyphenyl)propane bistrimethylsilyl ether
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 140 - 145℃; for 48h; | 99% |
2,6 difluorobenzonitrile
(+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol
2-fluoro-6-[1-(2-trifluoromethylphenyl)-ethoxy]-benzonitrile
Conditions | Yield |
---|---|
Stage #1: (+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol With sodium hydride In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 0.75h; Stage #2: 2,6 difluorobenzonitrile In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 2.33333h; | 99% |
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 2h; |
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
Stage #1: [4-(2-fluorobenzyl)cyclohexyl]methanol With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2.03333h; Stage #2: 2,6 difluorobenzonitrile In N,N-dimethyl-formamide at 0℃; for 2.01667h; | 98% |
Conditions | Yield |
---|---|
In dimethyl sulfoxide for 4h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 0 - 25℃; | 97% |
4-Octyne
2,6 difluorobenzonitrile
(Z)-3-(2,6-difluorophenyl)-2-propylhex-2-enenitrile
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); triphenylborane; bis[2-(diphenylphosphino)phenyl] ether at 100℃; for 8h; Inert atmosphere; chemoselective reaction; | 97% |
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; copper(l) iodide; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene at 85℃; for 0.5h; Aza-Henry Reaction; Molecular sieve; | 97% |
Conditions | Yield |
---|---|
With sodium ethanolate In N,N-dimethyl-formamide at 70 - 150℃; for 48h; | 97% |
With sodium hydride In hexane; N,N-dimethyl-formamide; mineral oil for 10h; Inert atmosphere; | 82% |
Conditions | Yield |
---|---|
With 9,10-phenanthrenequinone In N,N-dimethyl-formamide for 8.25h; Electrochemical reaction; | 95.7% |
2,6 difluorobenzonitrile
polymer, product of 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane polycondensation with 2,6-difluorobenzonitrile at 140 - 145 deg C for 48 h, monomers feed ratio 1.0:1.1; monomer(s): 1,1,1-tris(4-trimethylsilyloxyphenyl)ethane; 2,6-difluorobenzonitrile
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 140 - 145℃; for 48h; | 95% |
2,6 difluorobenzonitrile
benzyl alcohol
2-(benzyloxy)-6-fluorobenzonitrile
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 0 - 20℃; | 95% |
2,6 difluorobenzonitrile
methylmagnesium chloride
2,6-difluoroacetophenone
Conditions | Yield |
---|---|
Stage #1: 2,6 difluorobenzonitrile; methylmagnesium chloride In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene at 20℃; for 20h; Inert atmosphere; Stage #2: With sulfuric acid In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water at 50℃; | 95% |
Stage #1: 2,6 difluorobenzonitrile; methylmagnesium chloride In tetrahydrofuran; toluene at 36 - 40℃; for 5h; Inert atmosphere; Stage #2: With sulfuric acid; water In tetrahydrofuran; toluene at 27 - 30℃; for 2.5h; Inert atmosphere; | 93 %Chromat. |
Conditions | Yield |
---|---|
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry; Stage #2: 1-methyl-1H-indole-2,3-dione; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With sodium ethanolate In N,N-dimethyl-formamide at 70 - 150℃; for 48h; | 95% |
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 90℃; for 4h; Inert atmosphere; | 94% |
With hydrazine hydrate In ethanol at 90℃; for 4h; Inert atmosphere; | 94% |
2,6 difluorobenzonitrile
Conditions | Yield |
---|---|
Stage #1: N-cyclopentyl-3-(hydroxymethyl)-2-oxopiperidine-3-carboxamide With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: 2,6 difluorobenzonitrile In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry; Stage #2: indole-2,3-dione; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry; | 94% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h; | 93% |
Conditions | Yield |
---|---|
Stage #1: 2,6 difluorobenzonitrile; 9,9-bis(4-hydroxyphenyl)fluorene With potassium carbonate In N,N-dimethyl acetamide; toluene at 140 - 165℃; for 5h; Inert atmosphere; Dean-Stark; Stage #2: 2,6 difluorobenzonitrile In N,N-dimethyl acetamide; toluene at 160℃; for 1h; Inert atmosphere; Dean-Stark; | 92% |
Conditions | Yield |
---|---|
Stage #1: 2,6 difluorobenzonitrile With hydrazine In ethanol at 80℃; for 0.5h; Green chemistry; Stage #2: 5-methoxyisatine; dimedone With toluene-4-sulfonic acid In ethanol at 80℃; for 4h; Green chemistry; | 92% |
2,6 difluorobenzonitrile
guanidine hydrogen carbonate
2,4-diamino-5-fluoroquinazoline
Conditions | Yield |
---|---|
In N,N-dimethyl acetamide at 140 - 142℃; for 5h; | 91% |
In N,N-dimethyl acetamide at 140℃; for 8h; | 77% |
IUPAC Name: 2,6-Difluorobenzonitrile
Molecular Formula: C7H3F2N
Molecular Weight: 139.10 g/mol
SMILES: N#Cc1c(F)cccc1F
InChI: InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
EINECS: 217-589-7
Product Categories: Aromatic Nitriles; Fluorobenzene; Nitrile; C6 to C7; Cyanides / Nitriles; Nitrogen Compounds
Index of Refraction: 1.486
Molar Refractivity: 31.54 cm3
Molar Volume: 109.7 cm3
Surface Tension: 35.3 dyne/cm
Density: 1.26 g/cm3
Flash Point: 80 °C
Enthalpy of Vaporization: 41.04 kJ/mol
Boiling Point: 174 °C at 760 mmHg
Melting Point: 25-28 °C(lit.)
Vapour Pressure of 2,6-Difluorobenzonitrile (CAS NO.1897-52-5): 1.23 mmHg at 25 °C
Hazard Codes: Xn,T,Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3439
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup of 2,6-Difluorobenzonitrile (CAS NO.1897-52-5): III
2,6-Difluorobenzonitrile (CAS NO.1897-52-5), its Synonyms are Benzonitrile, 2,6-difluoro- ; 2,6-Difluoro-benzonitril ; 2,6-Difluorobenzonitrile 99% . It is white to light yellow crystal powder.
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