ChemicalBook--->CAS DataBase List--->1220630-83-0

1220630-83-0

1220630-83-0 Structure

1220630-83-0 Structure
IdentificationBack Directory
[Name]

3-Amino-4-(trifluoromethyl)benzonitrile
[CAS]

1220630-83-0
[Synonyms]

3-Amino-4-(trifluoromethyl)
3-Amino-4-(trifluoromethyl)benzonitrile
Benzonitrile, 3-amino-4-(trifluoromethyl)-
2-Amino-4-cyanobenzotrifluoride, 5-Cyano-alpha,alpha,alpha-trifluoro-o-toluidine
[Molecular Formula]

C8H5F3N2
[MDL Number]

MFCD18072580
[MOL File]

1220630-83-0.mol
[Molecular Weight]

186.13
Chemical PropertiesBack Directory
[Boiling point ]

286.6±40.0 °C(Predicted)
[density ]

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

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

crystalline powder
[pka]

-0.35±0.10(Predicted)
[color ]

Light gold to sand coloured
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-4-(trifluoromethyl)benzonitrile(1220630-83-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Benzonitrile, 3-[[(4-methoxyphenyl)methyl]amino]-4-(trifluoromethyl)-

1220630-84-1

3-Amino-4-(trifluoromethyl)benzonitrile

1220630-83-0

Procedure for the preparation of 3-amino-4-(trifluoromethyl)benzonitrile: 3-(4-methoxybenzylamino)-4-(trifluoromethyl)benzonitrile (500 mg, 1.63 mmol) and triethylsilane (0.2 mL) were dissolved in dichloroethane (2 mL), trifluoroacetic acid (TFA, 1 mL) was added, and the reaction was stirred for 30 min at room temperature. After completion of the reaction, the reaction mixture was concentrated to give Intermediate 24 (284 mg, 93% yield) as an orange solid. It was analyzed by high performance liquid chromatography (HPLC) using a Phenomenex? S5 4.6×30 mm column with a 10-90% aqueous methanol solution containing 0.1% TFA as the mobile phase in a 4-minute gradient elution at a flow rate of 5 mL/min and a detection wavelength of 254 nm, with a retention time (Rt) of 1.24 min. Mass spectrometry (MS) analysis showed m/z = 187.1 [M + H]+. This intermediate 24 was used in the synthesis of subsequent Examples 229, 230 and 241.

[References]

[1] Patent: WO2010/42699, 2010, A1. Location in patent: Page/Page column 72
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