ChemicalBook--->CAS DataBase List--->49674-28-4

49674-28-4

49674-28-4 Structure

49674-28-4 Structure
IdentificationBack Directory
[Name]

3-amino-5-(trifluoromethyl)benzonitrile
[CAS]

49674-28-4
[Synonyms]

3-Amino-5-(trifluoromethyl)
Benzonitrile, 3-aMino-5-(trifluoroMethyl)-
3-Amino-5-(trifluoromethyl)benzonitrile98%
3-Amino-5-(trifluoromethyl)benzonitrile 98%
3-Amino-5-cyanobenzotrifluoride, 5-Cyano-alpha,alpha,alpha-trifluoro-m-toluidine
[Molecular Formula]

C8H5F3N2
[MDL Number]

MFCD09955455
[MOL File]

49674-28-4.mol
[Molecular Weight]

186.13
Chemical PropertiesBack Directory
[Boiling point ]

279.3±40.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

crystalline powder
[pka]

1.57±0.10(Predicted)
[color ]

Peachy tan
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

3-amino-5-(trifluoromethyl)benzonitrile(49674-28-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-CYANO-5-NITROBENZOTRIFLUORIDE

20566-80-7

3-amino-5-(trifluoromethyl)benzonitrile

49674-28-4

General procedure for the synthesis of 3-amino-5-cyanobenzotrifluoride from 3-nitro-5-(trifluoromethyl)benzonitrile (432.0 mg, 2.0 mmol): to a solution of 3-nitro-5-(trifluoromethyl)benzylnitrile in ethanol (5 mL) was added zinc powder (1.3 mg, 20 mmol) and aqueous ammonium chloride solution (5 mL). The reaction mixture was stirred at 60°C for 14 hours. After completion of the reaction, the organic layer was separated by filtration and the filtrate was concentrated under reduced pressure. The crude product was partitioned between water (5 mL) and ethyl acetate (5 mL) and the aqueous layer was extracted with ethyl acetate (10 mL). The organic layers were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give a residue. The residue was purified by column chromatography (eluent: petroleum ether/ethyl acetate = 2:1) to give a yellow solid product (300.0 mg, 81% yield).LCMS (Method B): 2.33 min [MH]+=187.1.

[References]

[1] Patent: WO2016/127213, 2016, A1. Location in patent: Page/Page column 119-120
[2] Patent: WO2010/66684, 2010, A2. Location in patent: Page/Page column 64
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