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CAS No.: | 183610-70-0 |
---|---|
Name: | 2-Amino-3-(trifluoromethyl)pyridine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H5F3N2 |
Molecular Weight: | 162.114 |
Synonyms: | (3-Trifluoromethylpyridin-2-yl)amine;3-(Trifluoromethyl)-2-pyridinamine; |
Density: | 1.368 g/cm3 |
Melting Point: | 70-72 °C |
Boiling Point: | 203.2 °C at 760 mmHg |
Flash Point: | 76.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-36/37/39 |
PSA: | 38.91000 |
LogP: | 2.26380 |
2-fluoro-3-trifluoromethylpyridine
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
With ammonia In water at 130℃; under 22502.3 Torr; for 10h; Temperature; | 95% |
(4-methoxy-benzyl)-(3-trifluoromethyl-pyridin-2-yl)-amine
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
Stage #1: (4-methoxy-benzyl)-(3-trifluoromethyl-pyridin-2-yl)-amine With sulfuric acid at 5 - 23℃; for 0.5h; Stage #2: With sodium hydroxide In water at 0℃; | 92% |
2-chloro-3-trifluoromethyl-pyridine
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
With ammonia In water at 175℃; for 24h; | 71% |
With ammonia In water at 175℃; for 72h; | |
Multi-step reaction with 2 steps 1: hydrogen fluoride / 48 h / 130 °C / 60006 Torr / Autoclave 2: ammonia / water / 10 h / 130 °C / 22502.3 Torr View Scheme |
methanol
8-Trifluoromethyl-tetrazolo[1,5-a]pyridine
A
2-amino-3-trifluoromethylpyridine
B
2-methoxy-4-trifluoromethyl-1H-1,3-diazepine
Conditions | Yield |
---|---|
In 1,4-dioxane at 25℃; for 1.33333h; Irradiation; | A 5% B 47% |
2-amino-3-trifluoromethylpyridine
5-bromo-3-(trifluoromethyl)pyridin-2-amine
Conditions | Yield |
---|---|
With N-Bromosuccinimide In acetonitrile at 0 - 20℃; | 99% |
With N-Bromosuccinimide In acetonitrile at 5 - 23℃; for 1h; | 98% |
With N-Bromosuccinimide In acetonitrile at 20℃; | 93% |
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
With N-iodo-succinimide; acetic acid at 0 - 20℃; for 90h; | 89% |
Stage #1: 2-amino-3-trifluoromethylpyridine With N-iodo-succinimide; acetic acid at 0 - 20℃; Stage #2: With sodium hydrogencarbonate In water Cooling with ice; | 76% |
With N-iodo-succinimide | 76% |
With N-iodo-succinimide In acetic acid at 0 - 20℃; | 76% |
With N-iodo-succinimide In N,N-dimethyl-formamide at 20℃; | 70% |
2-amino-3-trifluoromethylpyridine
5-chloro-3-(trifluoromethyl)pyridin-2-amine
Conditions | Yield |
---|---|
With N-chloro-succinimide In N,N-dimethyl-formamide at 60℃; for 1h; | 88% |
With N-chloro-succinimide In N,N-dimethyl-formamide at 60℃; for 1h; | 88% |
With N-chloro-succinimide In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere; |
cyclohexanone
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
With iodine; oxygen In 1,1,2,2-tetrachloroethane at 160℃; for 24h; Green chemistry; | 88% |
2-amino-3-trifluoromethylpyridine
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In acetone at 0 - 20℃; for 12.5h; | 81% |
2-amino-3-trifluoromethylpyridine
5-nitro-3-(trifluoromethyl)pyridin-2-amine
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid In water at 0 - 50℃; for 3.25h; | 75% |
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The 2-Amino-3-(trifluoromethyl)pyridine is an organic compound with the formula C6H5F3N2. The systematic name of this chemical is 3-(trifluoromethyl)pyridin-2-amine. With the CAS registry number 183610-70-0, it is also named as 2-Pyridinamine, 3-(trifluoromethyl)-. The product's categories are Amines and Anilines; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Amines; Pyridines. Additionally, this chemical should be stored at room temperature.
The other characteristics of 2-Amino-3-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 21.82; (6)ACD/BCF (pH 7.4): 22.84; (7)ACD/KOC (pH 5.5): 312.05; (8)ACD/KOC (pH 7.4): 326.63; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 33.56 cm3; (15)Molar Volume: 118.4 cm3; (16)Polarizability: 13.3×10-24 cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.368 g/cm3; (19)Flash Point: 76.7 °C; (20)Enthalpy of Vaporization: 43.95 kJ/mol; (21)Boiling Point: 203.2 °C at 760 mmHg; (22)Vapour Pressure: 0.28 mmHg at 25°C
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1cccnc1N
2. InChI:InChI=1/C6H5F3N2/c7-6(8,9)4-2-1-3-11-5(4)10/h1-3H,(H2,10,11)
3. InChIKey:YWOWJQMFMXHLQD-UHFFFAOYAV
4. Std. InChI:InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-11-5(4)10/h1-3H,(H2,10,11)
5. Std. InChIKey:YWOWJQMFMXHLQD-UHFFFAOYSA-N