ChemicalBook--->CAS DataBase List--->167760-75-0

167760-75-0

167760-75-0 Structure

167760-75-0 Structure
IdentificationBack Directory
[Name]

4-amino-3-trifluoromethyl-benzoic acid methyl ester
[CAS]

167760-75-0
[Synonyms]

Methyl 4-amino-3-(trifluoromethyl)
Methyl 4-Amino-3-trifluoromethylbenzoate
Methyl 3-(trifluoroMethyl)-4-aMinobenzoate
4-amino-3-trifluoromethyl-benzoic acid methyl ester
Benzoic acid, 4-amino-3-(trifluoromethyl)-, methyl ester
[Molecular Formula]

C9H8F3NO2
[MDL Number]

MFCD11226326
[MOL File]

167760-75-0.mol
[Molecular Weight]

219.16
Chemical PropertiesBack Directory
[Boiling point ]

305.7±42.0 °C(Predicted)
[density ]

1.343
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

-0.67±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335-H302
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

4-amino-3-trifluoromethyl-benzoic acid methyl ester(167760-75-0)1HNMR
4-amino-3-trifluoromethyl-benzoic acid methyl ester(167760-75-0)19FNMR
Hazard InformationBack Directory
[Synthesis]

4-Nitro-3-trifluoromethyl-benzoic acid methyl ester

957207-00-0

4-amino-3-trifluoromethyl-benzoic acid methyl ester

167760-75-0

b) Synthesis of methyl 4-amino-3-trifluoromethyl-benzoate: 4.0 g (16.1 mmol) of methyl 4-nitro-3-trifluoromethyl-benzoate was dissolved in 50 mL of methanol and 0.4 g of 10% palladium carbon catalyst was added. The reaction mixture was stirred at room temperature and under hydrogen atmosphere (1.7 bar) for 2 hours. Upon completion of the reaction, the catalyst was diluted by adding 100 mL of ethyl acetate and filtered to remove the catalyst. The filtrate was concentrated and dried under high vacuum to afford methyl 3-trifluoromethyl-4-aminobenzoate as a white solid in 98% yield. The product did not need further purification and could be used directly in the subsequent reaction.

[References]

[1] Patent: US2009/163552, 2009, A1. Location in patent: Page/Page column 31
[2] Patent: EP2017263, 2009, A1. Location in patent: Page/Page column 248
[3] Patent: US2010/185419, 2010, A1
[4] Patent: WO2016/55947, 2016, A1. Location in patent: Page/Page column 61; 68
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