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| CAS No.: | 70627-52-0 |
|---|---|
| Name: | N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C20H16FNO |
| Molecular Weight: | 305.352 |
| Synonyms: | 4-Benzyloxybenzylidene4-fluoroaniline;N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline; |
| EINECS: | 615-134-0 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 136-138 °C |
| Boiling Point: | 455.2 °C at 760 mmHg |
| Flash Point: | 229.1 °C |
| Appearance: | light yellow flaky crystal |
| PSA: | 21.59000 |
| LogP: | 5.15530 |
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- 852475-26-4MC1568
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- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 4397-53-9
p-benzyloxybenzaldehyde
- 371-40-4
4-fluoroaniline
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 40℃; | 95% |
| In toluene Reflux; Large scale; | 93.6% |
| In toluene for 48h; Heating; | 75% |
| With magnesium sulfate In dichloromethane at 20℃; for 2h; |
- 100-39-0
benzyl bromide
- 123-08-0
4-hydroxy-benzaldehyde
- 371-40-4
4-fluoroaniline
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
| Conditions | Yield |
|---|---|
| Stage #1: benzyl bromide; 4-hydroxy-benzaldehyde With potassium carbonate at 20℃; for 12h; Stage #2: 4-fluoroaniline In acetone for 4h; Reflux; | 92% |
| Stage #1: 4-hydroxy-benzaldehyde With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 20℃; for 0.25h; Stage #2: benzyl bromide In dichloromethane; water at 25 - 30℃; for 1.5h; Stage #3: 4-fluoroaniline In isopropyl alcohol at 20 - 60℃; for 2.5h; |
- 99395-88-7
(S)-4-phenyl-2-oxazolidinone
B
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
- 123-08-0
4-hydroxy-benzaldehyde
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 20 °C 2: isopropyl alcohol / 40 °C View Scheme |
- 100-44-7
benzyl chloride
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 20 °C 2: isopropyl alcohol / 40 °C View Scheme |
- 3382-63-6
N-(4-hydroxybenzylidene)-4-fluorobenzenamine
- 100-44-7
benzyl chloride
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h; | 20.3 g |
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
- 189028-95-3
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidine-2-one
- 1185883-39-9
C40H36F2N2O5
| Conditions | Yield |
|---|---|
| Stage #1: 4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine; (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidine-2-one With N-ethyl-N,N-diisopropylamine In dichloromethane at -5℃; for 2h; Inert atmosphere; Stage #2: With titanium tetrachloride In dichloromethane at -30℃; for 2h; Inert atmosphere; | 94% |
- 75-77-4
chloro-trimethyl-silane
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
- 189028-95-3
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidine-2-one
| Conditions | Yield |
|---|---|
| Stage #1: chloro-trimethyl-silane; 4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine; (4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidine-2-one With N-ethyl-N,N-diisopropylamine In dichloromethane at -5 - 5℃; Inert atmosphere; Stage #2: With titanium tetrachloride In dichloromethane at -5 - 5℃; for 1h; | 93% |
- 942485-56-5
(S)-3-{4-[2-(4-fluorophenyl)dioxolan-2-yl]butanoyl}-4-phenyl-oxazolidin-2-one
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
- 190595-65-4
(3R,4S)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
| Conditions | Yield |
|---|---|
| With N,O-bis-(trimethylsilyl)-acetamide; tetrabutyl ammonium fluoride In toluene at 60℃; | 88.94% |
- 70627-52-0
4-benzyloxybenzylidene-N-(4-fluoro)phenylanisidine
- 415960-63-3
N-(4-(benzyloxy)benzyl)-4-fluoroaniline
| Conditions | Yield |
|---|---|
| With 4-Fluorothiophenol In toluene for 8h; Sealed tube; Irradiation; | 85% |
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Specification
The n-(4-(Benzyloxy)benzylidene)-4-fluoroaniline, with the CAS register number 70627-52-0, has other names as 4-benzyloxybenzylidene-(4-fluoro)aniline; 4-(4-benzyloxybenzylidene)fluoroaniline; n-(4-(benzyloxy)benzylidene)-4-fluorobenzenamine; 4-fluoro-n-[[4-(phenylmethoxy)phenyl]methylene]benzenamine; n-(4-(benzyloxy)benzylidene)-4-fluoroaniline.
The physical characteristics could be summarized as: (1)ACD/LogP: 4.97; (2)#Hbondacceptors: 2; (3)#FreelyRotatingBonds: 5; (4)PolarSurfaceArea: 21.59; (5)IndexofRefraction: 1.558; (6)MolarRefractivity: 91.38cm3; (7)MolarVolume: 283cm3; (8)Polarizability: 36.22 ×10-24 cm3; (9)SurfaceTension: 37.6dyne/cm; (10)Density: 1.07g/cm3; (11)FlashPoint: 229.1°C; (12)EnthalpyofVaporization: 68.75kJ/mol; (13)BoilingPoint: 455.2°Cat760mmHg; (14)VapourPressure: 4.83E-08mmHgat25°C.
This is a kind of light yellow flaky crystal. As to its raw materials, they are including etanol, ethyl acetate, n,n-dimethylformamide, potassium carbonate, sodium sulfate, potassium iodide, benzyl bromide, petroleum ether, p-hydroxybenzaldehyde, 4-fluoroaniline. When store it, it should be kept sealing in low temperature. As to its usage, it is widely applied in many way, mainly in pharmaceutics, such as being used in the synthesis of cardiovascular drugs Ezetimibe.
In addition, you could refer to the following data information to get the molecular structure:
(1)SMILES:Fc3ccc(\N=C\c2ccc(OCc1ccccc1)cc2)cc3
(2)InChI:InChI=1/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2/b22-14+
(3)InChIKey:IWNBEFDVKWCBFY-HYARGMPZBF