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Cas Database |
| Name |
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone |
EINECS | N/A |
| CAS No. | 61718-80-7 | Density | 1.147 g/cm3 |
| PSA | 26.30000 | LogP | 3.70480 |
| Solubility | 74.36mg/L at 20℃ | Melting Point |
50-52 °C |
| Formula | C13H15F3O2 | Boiling Point | 318.7 °C at 760 mmHg |
| Molecular Weight | 260.256 | Flash Point | 141.8 °C |
| Transport Information | N/A | Appearance | White Solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Fluvoxketone; |
Article Data | 5 |
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Synthetic route
- 17913-18-7
4-(methoxy)-1-chlorobutane
- 2967-66-0
methyl 4-(trifluoromethyl)benzoate
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 4-(methoxy)-1-chlorobutane With magnesium; methyl iodide In tetrahydrofuran at 75℃; for 13h; Inert atmosphere; Stage #2: methyl 4-(trifluoromethyl)benzoate In tetrahydrofuran at 20 - 70℃; Inert atmosphere; | 90.5% |
- 4457-67-4
4-Methoxy-1-bromobutane
- 455-18-5
4-CF3C6H4CN
- 106-93-4
ethylene dibromide
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| With magnesium In tetrahydrofuran | 71.84% |
- 4457-67-4
4-Methoxy-1-bromobutane
- 455-18-5
4-CF3C6H4CN
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 4-Methoxy-1-bromobutane With magnesium; ethylene dibromide In diethyl ether Inert atmosphere; Stage #2: 4-CF3C6H4CN In diethyl ether for 8h; Inert atmosphere; Reflux; | 32% |
- 455-18-5
4-CF3C6H4CN
- 634590-61-7
(4-methoxybutyl)magnesium chloride
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| Stage #1: 4-CF3C6H4CN; (4-methoxybutyl)magnesium chloride In toluene at -8 - 1℃; for 8 - 10h; Stage #2: With hydrogenchloride; water at 40 - 45℃; pH=1 - 2; Product distribution / selectivity; | |
| Stage #1: 4-CF3C6H4CN; (4-methoxybutyl)magnesium chloride In 2-methyltetrahydrofuran at -8 - 1℃; for 8 - 10h; Stage #2: With hydrogenchloride; water at 40 - 45℃; pH=1 - 2; Product distribution / selectivity; |
- 61747-22-6
1-N-hydroxy-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-imine
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 25 - 75℃; |
- 455-18-5
4-CF3C6H4CN
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium hydroxide / 10 h / 80 °C 2.1: 2 h / 65 °C 3.1: magnesium; methyl iodide / tetrahydrofuran / 13 h / 75 °C / Inert atmosphere 3.2: 20 - 70 °C / Inert atmosphere View Scheme |
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium acetate In ethanol at 20℃; for 3h; | 94% |
| With hydroxylamine hydrochloride; sodium carbonate In methanol at 25 - 50℃; |
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
- 37866-45-8, 137270-05-4
2-aminoethoxyamine dihydrochloride
- 110-16-7
maleic acid
- 1164483-81-1
fluvoxamine maleate
| Conditions | Yield |
|---|---|
| With pyridine; sodium hydrogencarbonate In ethanol; water; acetonitrile |
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
- 870-24-6
2-chloroethanamine hydrochloride
- 110-16-7
maleic acid
- 61718-82-9
fluvoxamine maleate
| Conditions | Yield |
|---|---|
| Stage #1: 5-methoxy-1-(4-trifluoromethylphenyl)pentan-1-one; 2-chloroethanamine hydrochloride With potassium hydroxide In water; dimethyl sulfoxide; toluene at 40 - 45℃; Stage #2: maleic acid In water at 20 - 30℃; | 161 mg |
- 61718-80-7
5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
- 54739-18-3, 61718-81-8, 89035-92-7
fluvoxamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; sodium acetate / ethanol / 3 h / 20 °C 2: potassium hydroxide / N,N-dimethyl-formamide / 10 - 20 °C View Scheme |
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Chemical Properties
Empirical Formula: C13H15F3O2
Molecular Weight: 260.2522
Nominal Mass: 260 Da
Average Mass: 260.2522 Da
Monoisotopic Mass: 260.102414 Da
Index of Refraction: 1.454
Molar Refractivity: 61.53 cm3
Molar Volume: 226.8 cm3
Surface Tension: 29.4 dyne/cm
Density: 1.147 g/cm3
Flash Point: 141.8 °C
Enthalpy of Vaporization: 56.02 kJ/mol
Boiling Point: 318.7 °C at 760 mmHg
Vapour Pressure: 0.000356 mmHg at 25 °C
Melting point: 50-52 °C
Structure of 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone (CAS NO.61718-80-7):
Product Category of 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone (CAS NO.61718-80-7): Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Specification
5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone , its cas register number is 61718-80-7. It also can be called (4-Methoxybutyl)(4-trifluoromethylphenyl)methanone ; and 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]- .
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