• Name

  5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone

• EINECS
• CAS No. 61718-80-7
• Article Data5
• CAS DataBase
• Density 1.147 g/cm³
• 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
• Appearance White Solid
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Fluvoxketone;
• PSA 26.30000
• LogP 3.70480

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

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

Conditions	Yield
With magnesium In tetrahydrofuran	71.84%

...Expand

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

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

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

(E)-N-{5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}hydroxylamine

61718-80-7

5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one

Conditions

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

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

(E)-N-{5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}hydroxylamine

Conditions

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

Conditions	Yield
With pyridine; sodium hydrogencarbonate In ethanol; water; acetonitrile

...Expand

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

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

...Expand

61718-80-7

5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one

54739-18-3, 61718-81-8, 89035-92-7

fluvoxamine

Conditions

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

5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Specification