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62451-84-7

62451-84-7 Structure

62451-84-7 Structure
IdentificationBack Directory
[Name]

METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE
[CAS]

62451-84-7
[Synonyms]

AURORA KA-6005
Methyl 2-(3-(trifluoromethyl)
Methyle3-(trifluoromethyl)phenylacetate
METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE
Methyl 3-(trifluoromethyl)phenylacetate 97%
Methyl 3-(trifluoromethyl)phenylacetate,97%
Methyl 2-[3-(trifluoromethyl)phenyl]acetate
(3-TRIFLUOROMETHYLPHENYL) ACETIC ACID METHYL ESTER
3-(Trifluoromethyl)phenylacetic acid methyl ester, 3-(2-Methoxy-2-oxoethyl)benzotrifluoride
[Molecular Formula]

C10H9F3O2
[MDL Number]

MFCD04039762
[MOL File]

62451-84-7.mol
[Molecular Weight]

218.17
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

211℃
[density ]

1.24
[refractive index ]

1.45-1.452
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Clear colorless
[InChI]

1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
[InChIKey]

GMEBDKGPPKAPEM-UHFFFAOYSA-N
[SMILES]

O=C(OC)CC1=CC(C(F)(F)F)=CC=C1
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Synthesis]

Methanol

67-56-1

m-(Trifluoromethyl)phenylacetic acid

351-35-9

METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE

62451-84-7

Concentrated sulfuric acid (50 mL) was added slowly to a solution of methanol (1200 mL) of m-trifluoromethylphenylacetic acid (1.0 mol). The reaction mixture was heated to reflux and the reaction was stirred overnight. Upon completion of the reaction, the reaction solution was concentrated to dryness under reduced pressure. Water (600 mL) was added to the residue and extracted with ethyl acetate (3 x 400 mL). The organic layers were combined and washed with water until neutral. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by column chromatography (eluent: ethyl acetate/petroleum ether=1:20) to afford methyl 3-trifluoromethylphenylacetate (108 g, 100% yield) as a yellow oil.

[References]

[1] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2843 - 2866
[2] Patent: US2005/234046, 2005, A1. Location in patent: Page/Page column 97
[3] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897
[4] Tetrahedron Letters, 2018, vol. 59, # 22, p. 2161 - 2166
[5] Patent: US2479295, 1946,
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

37/39-26
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE(62451-84-7)1HNMR
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