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3010-05-7

3010-05-7 Structure

3010-05-7 Structure
IdentificationBack Directory
[Name]

2-(BENZYLAMINO)ACETONITRILE
[CAS]

3010-05-7
[Synonyms]

3010-05-7
UKRORGSYN-BB BBV-144762
2-(BENZYLAMINO)ACETONITRILE
2-(BENZYLAMINO)ACETONITRILE-2
Acetonitrile, 2-[(phenylMethyl)aMino]-
[Molecular Formula]

C9H10N2
[MDL Number]

MFCD00597541
[MOL File]

3010-05-7.mol
[Molecular Weight]

146.19
Chemical PropertiesBack Directory
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[Appearance]

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


GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H332-H314-H302-H312
[Precautionary statements ]

P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

2-(BENZYLAMINO)ACETONITRILE(3010-05-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Chloroacetonitrile

107-14-2

Benzylamine

100-46-9

2-(BENZYLAMINO)ACETONITRILE

3010-05-7

To a suspension of benzylamine (1.0 mL, 9.2 mmol) and potassium carbonate (3.0 g, 22.0 mmol) in acetonitrile (25.4 mL) was added dropwise chloroacetonitrile (0.90 mL, 14.0 mmol). The reaction mixture was stirred at 60 °C for 16 hours. Upon completion of the reaction, the mixture was allowed to cool to room temperature and the excess solvent was subsequently removed under reduced pressure. The residue was diluted with dichloromethane, washed sequentially with saturated sodium bicarbonate solution and brine, the organic phase was dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to afford 2-(benzylamino)acetonitrile (1.2 g, 90% yield).LCMS (formic acid as additive): m/z 147.2 ([M+H]+).

[References]

[1] Patent: WO2013/14448, 2013, A1. Location in patent: Page/Page column 103; 104
[2] Tetrahedron, 1998, vol. 54, # 49, p. 14859 - 14868
[3] Synthesis, 2000, # 9, p. 1299 - 1304
[4] Organic Syntheses, 2003, vol. 80, p. 207 - 218
[5] Patent: WO2015/108861, 2015, A1. Location in patent: Paragraph 00425
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