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CAS No.: | 113770-87-9 |
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Name: | 3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H3F4N |
Molecular Weight: | 165.09 |
Synonyms: | 3-Fluoro-4-trifluoromethylpyridine; |
EINECS: | -0 |
Density: | 1.371 g/cm3 |
Boiling Point: | 139.163 °C at 760 mmHg |
Flash Point: | 37.965 °C |
Appearance: | Light yellow liquid |
Hazard Symbols: | F,T,C |
Risk Codes: | 11-25-36/37/38 |
Safety: | 26-45 |
Transport Information: | UN 1992 3/PG 2 |
PSA: | 12.89000 |
LogP: | 2.23950 |
Conditions | Yield |
---|---|
Stage #1: 2-Amino-2-methyl-1-propanol With sodium hydride In 1,4-dioxane; mineral oil at 0℃; for 0.25h; Stage #2: 3-fluoro-4-(trifluoromethyl)-pyridine In 1,4-dioxane; mineral oil at 100℃; for 1h; | 84% |
Stage #1: 2-Amino-2-methyl-1-propanol With sodium hydride In 1,4-dioxane; mineral oil at 0℃; for 0.25h; Stage #2: 3-fluoro-4-(trifluoromethyl)-pyridine In 1,4-dioxane; mineral oil at 100℃; for 1h; | 84% |
3-fluoro-4-(trifluoromethyl)-pyridine
N-t-butoxycarbonyl-tyramine
{2-[4-(4-trifluoromethylpyridine-3-yloxy)phenyl]ethyl}carbamic acid tert-butyl ester
Conditions | Yield |
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With potassium carbonate In dimethyl sulfoxide at 100℃; for 0.5h; | 60% |
Conditions | Yield |
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In tetrahydrofuran; hexane at -78℃; for 1h; |
3-fluoro-4-(trifluoromethyl)-pyridine
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII) at 0 - 20℃; |
3-fluoro-4-(trifluoromethyl)-pyridine
3-(difluoromethyl)-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C 2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C 2.2: pH 9 3.1: potassium carbonate / 1,4-dioxane / 0.08 h 3.2: 2 h / 20 °C 4.1: potassium carbonate / 75 °C View Scheme |
3-fluoro-4-(trifluoromethyl)-pyridine
3-fluoro-4-(trifluoromethyl)pyridin-2-ol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C 2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C 2.2: pH 9 View Scheme |
3-fluoro-4-(trifluoromethyl)-pyridine
3-fluoro-1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2(1 H)-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C 2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C 2.2: pH 9 3.1: potassium carbonate / 1,4-dioxane / 0.08 h 3.2: 2 h / 20 °C View Scheme |
3-fluoro-4-(trifluoromethyl)-pyridine
1,3-dioxoisoindolin-2-yl (tert-butoxycarbonyl)glycinate
Conditions | Yield |
---|---|
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; trifluoroacetic acid In N,N-dimethyl acetamide at 38℃; for 16h; Minisci Aromatic Substitution; Microwave irradiation; Inert atmosphere; Overall yield = 351 mg; regioselective reaction; |
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Molecule structure of 3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9):
Molecular Formula: C6H3F4N
Molecular Weight: 165.09 g/mol
Density: 1.371 g/cm3
Boiling Point: 139.163 °C at 760 mmHg
Flash Point: 37.965 °C
Index of Refraction: 1.402
Molar Refractivity: 29.318 cm3
Molar Volume: 120.377 cm3
Polarizability: 11.622×10-24 cm3
Surface Tension: 23.754 dyne/cm
Enthalpy of Vaporization: 36.09 kJ/mol
Vapour Pressure: 8.101 mmHg at 25 °C
InChI: InChI=1/C6H3F4N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
InChIKey: AXHLDFPTUFGBRL-UHFFFAOYAQ
Product Categories of 3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9): Pyridine series; Pyridine
Hazard Codes: F, T, Xi
Risk Statements: 11-25-36/37/38
R11:Highly flammable.
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1992 3/PG 2
WGK Germany: 3
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III
3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9) is also named as Pyridine, 3-fluoro-4-(trifluoromethyl)- ; alpha,alpha,alpha,3-Tetrafluoropicoline .