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CAS No.: | 2247-88-3 |
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Name: | 4-Amino-3-fluoropyridine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H5FN2 |
Molecular Weight: | 112.107 |
Synonyms: | Pyridine,4-amino-3-fluoro- (7CI,8CI);3-Fluoro-4-aminopyridine;3-Fluoropyridin-4-amine;4-Amino-3-fluoropyridine;3-Fluoropyridin-4-amine; |
Density: | 1.257 g/cm3 |
Melting Point: | 74-77 °C |
Boiling Point: | 217.1 °C at 760 mmHg |
Flash Point: | 85.1 °C |
Appearance: | Yellow to light yellow crystals |
Hazard Symbols: | Xi; Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 38.91000 |
LogP: | 1.38410 |
Conditions | Yield |
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titanium In tetrahydrofuran for 0.25h; Ambient temperature; Yield given; | |
With hydrogen; palladium on activated charcoal Yield given; | |
With palladium 10% on activated carbon; hydrogen In methanol for 0.166667h; | |
With palladium 10% on activated carbon; hydrogen In methanol at 25℃; under 760.051 Torr; |
Conditions | Yield |
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Multi-step reaction with 2 steps 2: H2 / Pd/C View Scheme |
Conditions | Yield |
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With ammonium hydroxide In water |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: tetrabutyl ammonium fluoride / tetrahydrofuran; dimethyl sulfoxide 2: palladium 10% on activated carbon; hydrogen / methanol / 0.17 h View Scheme | |
Multi-step reaction with 2 steps 1: tetrabutyl ammonium fluoride / dimethyl sulfoxide; tetrahydrofuran / 125 °C 2: hydrogen; palladium 10% on activated carbon / methanol / 25 °C / 760.05 Torr View Scheme |
5-methoxymethylene-2,2-dimethyl-1,3-dioxane-4,6-dione
3-fluoro-pyridin-4-ylamine
Conditions | Yield |
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In isopropyl alcohol at 25℃; for 2h; | 99% |
Conditions | Yield |
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In N,N-dimethyl-formamide at 130℃; for 24h; | 98% |
1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylic chloride
3-fluoro-pyridin-4-ylamine
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 97% |
benzoyl chloride
3-fluoro-pyridin-4-ylamine
N-(3-fluoropyridin-4-yl)benzamide
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at -5 - 5℃; for 4h; Inert atmosphere; Large scale reaction; | 92% |
With pyridine; triethylamine In tetrahydrofuran at 3 - 15℃; for 4h; | 74% |
3-fluoro-pyridin-4-ylamine
Conditions | Yield |
---|---|
Stage #1: 3-fluoro-pyridin-4-ylamine With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: ethyl 4-phenoxy-2-(6-(trifluoromethyl)pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate at 20℃; for 3h; | 90% |
3-fluoro-pyridin-4-ylamine
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide; mineral oil for 3h; | 90% |
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The 3-Fluoropyridin-4-amine, with the CAS registry number 2247-88-3, is also known as 4-Amino-3-fluoropyridine. It is a kind of yellow to light yellow crystals, and belongs to the following product categories: Pyridine; Heterocyclic Series; Pyridine series; Pyridines; Boronic Acid; Chemical Synthesis; Halogenated Heterocycles; Heterocyclic Building Blocks. And the molecular formula of this chemical is C5H5FN2.
The physical properties of 3-Fluoropyridin-4-amine are as following: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.02; (6)ACD/KOC (pH 5.5): 1.15; (7)ACD/KOC (pH 7.4): 30.85; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 16.13 Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 28.57 cm3; (14)Molar Volume: 89.1 cm3; (15)Polarizability: 11.32×10-24cm3; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.257 g/cm3; (18)Flash Point: 85.1 °C; (19)Enthalpy of Vaporization: 45.35 kJ/mol; (20)Boiling Point: 217.1 °C at 760 mmHg; (21)Vapour Pressure: 0.135 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, and it is also harmful if swallowed. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(N)ccnc1
(2)InChI: InChI=1/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
(3)InChIKey: UFIKBUVVVGSMGW-UHFFFAOYAG