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

Melting point:

50-52°C

Boiling point:

318.7±42.0 °C(Predicted)

Density 

1.147±0.06 g/cm3(Predicted)

vapor pressure 

0Pa at 20℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

solid

Appearance

White to off-white Solid

Water Solubility 

74.36mg/L at 20℃

InChI

InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3

InChIKey

VYKSRLDHXQURKA-UHFFFAOYSA-N

SMILES

C(C1=CC=C(C(F)(F)F)C=C1)(=O)CCCCOC

LogP

3.3

CAS DataBase Reference

61718-80-7(CAS DataBase Reference)

Safety Information

RIDADR 

UN 3077 9 / PGIII

HS Code 

2914500090

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

Chemical Properties

White Solid

Uses

Fluvoxamine intermediate

Flammability and Explosibility

Non flammable

Synthesis

Under nitrogen atmosphere, 1500 mL of anhydrous tetrahydrofuran and 108 g of magnesium shavings were added to the reaction flask, followed by a few drops of iodomethane as initiator. The reaction system was warmed to 75 °C and stirred until the magnesium shavings were completely dissolved. Slowly 602.1 g of 1-chloro-4-methoxybutane was added dropwise, and after completion of the dropwise addition, the reaction was kept at a constant temperature for 13 hours. After the reaction was complete, cooled to room temperature, then 45.88 g of methyl 4-(trifluoromethyl)benzoate prepared in step 1 was slowly added dropwise at a controlled rate of 5 g per min. After completion of the dropwise addition, the reaction mixture was heated to 70 °C and maintained at a constant temperature for 4-6 hours. After the reaction was complete, it was cooled to room temperature and acidified by slowly adding ice hydrochloric acid to the reaction solution. The reaction mixture was extracted with tetrahydrofuran and the organic phases were combined and concentrated. The aqueous phase was further extracted with dichloromethane and the organic phase was combined with the previously concentrated tetrahydrofuran phase. The combined organic phases were dried with anhydrous sodium sulfate, filtered and concentrated to give 152.36 g of 1-[4-(trifluoromethyl)phenyl]-5-methoxyvalerophenone in 90.5% yield.

References

[1] Patent: CN108191630, 2018, A. Location in patent: Paragraph 0024; 0025; 0027

5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone(61718-80-7)Related Product Information

• Chlorodimethylphenylsilane
• DIPHENYLCYCLOPROPENONE
• Mesotrione
• PHENYL VALERATE
• Methyl cyclopentenolone
• 4-Methoxyphenylacetone
• 4-Methyl-2-pentanone
• Phenylacetic acid
• 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone oxime
• Valerophenone
• Voriconazole
• Bromoethane
• Fluvoxamine
• (E)-5-METHOXY-1-[4-(TRIFLUOROMETHYL)PHENYL]-1-PENTANONE-O-(2-AMINOETHYL)OXIME MALEATE
• 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone-(E)-O-(2-aminoethyl]oxime Maleic Acid Monoamide
• ETHYL 5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERATE
• 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone
• 4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-TRIFLUOROMETHYLBUTYROPHENONE