ChemicalBook--->CAS DataBase List--->773873-72-6

773873-72-6

773873-72-6 Structure

773873-72-6 Structure
IdentificationBack Directory
[Name]

METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE
[CAS]

773873-72-6
[Synonyms]

Methyl 3
RARECHEM AL BF 0343
5-trifluorobenzoate
3,4,5-fluorobenzoate
3,4,5-trifluoroMethyl benzoate
Methyl 3,4,5-trifluorobenzoate
Methyl3,4,5-trifluorobenzoate99%
METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE
3,4,5-Trifluorobenzoic acid methyl ester
Benzoic acid, 3,4,5-trifluoro-, methyl ester
[Molecular Formula]

C8H5F3O2
[MDL Number]

MFCD06200977
[MOL File]

773873-72-6.mol
[Molecular Weight]

190.12
Chemical PropertiesBack Directory
[Boiling point ]

211.1±40.0 °C(Predicted)
[density ]

1.358±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

Clear, colourless
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE(773873-72-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

3,4,5-Trifluorobenzoic acid

121602-93-5

METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE

773873-72-6

Thionyl chloride (0.61 mL) was slowly added to methanol (20 mL) and the reaction mixture was stirred for 5 minutes under ice bath cooling. Subsequently, 3,4,5-trifluorobenzoic acid (1.00 g) was added in batches under the same cooling conditions, and the temperature was gradually raised to 60 °C after the addition was completed. The reaction was kept at this temperature with continuous stirring for 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure to remove the solvent. The resulting residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane mixed solvent) to afford the target product methyl 3,4,5-trifluorobenzoate (712 mg) as a colorless oil.

[References]

[1] Patent: WO2018/140809, 2018, A1. Location in patent: Paragraph 00463
[2] Patent: JP2016/141632, 2016, A. Location in patent: Paragraph 0516; 0518
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