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CAS No.: | 158063-66-2 |
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Name: | 4-(Trifluoromethyl)nicotinic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H4F3NO2 |
Molecular Weight: | 191.109 |
Synonyms: | 4-Trifluoromethylnicotinicacid;4-Trifluoromethylpyridine-3-carboxylic acid; |
EINECS: | -0 |
Density: | 1.484 g/cm3 |
Melting Point: | 146-148 °C(lit.) |
Boiling Point: | 290.4 °C at 760 mmHg |
Flash Point: | 129.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 50.19000 |
LogP: | 1.79860 |
4-trifluoromethyl-3-pyridinecarboxamide
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
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With sodium hydroxide In water at 100℃; for 4h; Concentration; | 99.1% |
Stage #1: 4-trifluoromethyl-3-pyridinecarboxamide With hydrogenchloride; water for 5h; Heating / reflux; Stage #2: With sodium carbonate In water pH=3; | 89.7% |
With sodium hydroxide at 100℃; for 5h; |
4-(trifluoromethyl)nicotinonitrile
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide at 100℃; Temperature; | 98.3% |
With sodium hydroxide In ethanol at 80℃; for 10h; Temperature; Inert atmosphere; | 90.1% |
Stage #1: 4-(trifluoromethyl)nicotinonitrile With potassium hydroxide; water In water; ethylene glycol at 200℃; for 4h; Stage #2: With hydrogenchloride In water; ethylene glycol at 20℃; | 84% |
With sulfuric acid In water at 110℃; for 12h; |
2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
With ammonium formate; 10% palladium on active carbon In methanol at 25℃; for 0.25h; | 89% |
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
Stage #1: N-(2-methoxycarbonylvinyl)-4,4,4-trifluoro-3-oxo-1-butenamine With sodium methylate In methanol at 20 - 65℃; for 7h; Inert atmosphere; Stage #2: With water at 20℃; for 12h; | 86.2% |
Stage #1: N-(2-methoxycarbonylvinyl)-4,4,4-trifluoro-3-oxo-1-butenamine With sodium methylate In methanol for 6.5h; Reflux; Stage #2: With water; sodium hydroxide In methanol at 50℃; Time; | 75% |
With sodium methylate In methanol at 20℃; for 6.5h; Time; Reflux; |
4-trifluoromethylpyridine
carbon dioxide
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at -75℃; for 2h; | 84% |
carbon dioxide
3-iodo-4-(trifluoromethyl)pyridine
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at -75℃; for 0.0333333h; | 81% |
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; diethyl ether; water | 77% |
dimethyl (methoxymethylene)malonate
4-amino-1,1,1-trifluoro-3-butene-2-one
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
Stage #1: 4-amino-1,1,1-trifluoro-3-butene-2-one With sodium hydride In 1-methyl-pyrrolidin-2-one at 0 - 10℃; for 1h; Stage #2: dimethyl (methoxymethylene)malonate In 1-methyl-pyrrolidin-2-one; methanol at 65℃; for 7h; Stage #3: With hydrogenchloride In 1-methyl-pyrrolidin-2-one; methanol; water for 9h; Reagent/catalyst; Solvent; Temperature; Reflux; | 49% |
3-methoxy-2-propenenitrile
4-amino-1,1,1-trifluoro-3-butene-2-one
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
---|---|
Stage #1: 3-methoxy-2-propenenitrile; 4-amino-1,1,1-trifluoro-3-butene-2-one With sodium hydride In tetrahydrofuran at 0 - 20℃; for 3.33333h; Stage #2: With hydrogenchloride In tetrahydrofuran; water Stage #3: With hydrogenchloride; sodium hydroxide; water; sodium methylate more than 3 stages; | 45.3% |
4-trifluoromethylpyridine
4-(trifluoromethyl)nicotinic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 79 percent / 2,2,6,6-tetramethylpiperidine; butyllithium; iodine / tetrahydrofuran; hexane / 2 h / -75 °C 2: 81 percent / butyllithium / tetrahydrofuran; hexane / 0.03 h / -75 °C View Scheme |
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4-(Trifluoromethyl)nicotinic acid (CAS NO.158063-66-2) is also named as 4-(Trifluoromethyl)nicotinic acid 98% ; 4-(Trifluoromethyl)nicotinicacid98% ; 4-(Trifluromethyl)nicotinic acid ,and so on.
4-(trifluoromethyl)nicotinic acid(CAS NO.158063-66-2) is usually pale yellow crystal.
CAS: 158063-66-2
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.11
Molecular structure:
Melting point: 146-148 °C(lit.)
Index of Refraction: 1.475
Molar Refractivity: 36.25 cm3
Molar Volume: 128.6 cm3
Polarizability: 14.37 10-24cm3
Surface Tension: 38.5 dyne/cm
Density: 1.484 g/cm3
Flash Point: 129.4 °C
Enthalpy of Vaporization: 55.94 kJ/mol
Boiling Point: 290.4 °C at 760 mmHg
Vapour Pressure: 0.000958 mmHg at 25°C
4-(Trifluoromethyl)nicotinic acid (CAS NO.158063-66-2) is commonly used as pharmaceutical intermediate.
Hazard Codes: Xi
Risk Statements: 36/37/38 (36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-36-37/39 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36: Wear suitable protective clothing 37/39: Wear suitable gloves and eye/face protection)
WGK Germany: 3
Hazard Note: Irritant