ChemicalBook--->CAS DataBase List--->94-34-8

94-34-8

94-34-8 Structure

94-34-8 Structure
IdentificationMore
[Name]

N-Cyanoethyl-N-methylaniline
[CAS]

94-34-8
[Synonyms]

3-(METHYLPHENYLAMINO)PROPIONITRILE
3-(N-METHYLANILINO)PROPIONITRILE
3-(N-methylanilino)propiononitrile
3-(N-METHYL-N-PHENYLAMINO)PROPIONITRILE
N-(2-CYANOETHYL)-N-METHYLANILINE
N-(B-CYANOETHYL)-N-METHYLANILINE
N-CYANOETHYL-N-METHYL ANILINE
N-METHYL-N-(2-CYANOETHYL)ANILINE
N-METHYL-N-(B-CYANOETHYL)ANILINE
3-(methylphenylamino)-propanenitril
N-Methyl-N-Cyanoethyl Aniline
3-(methyl(phenyl)amino)propanenitrile
3-(METHYLPHENYLAMINO)PROPIONITRILE 97%
N-(2-CYANOETHYL)-N-METHYLANILINE/3-(METHYLPHENYLAMINO)PROPIONITRILE
3-(N-Methyl-N-phenylamino)propiononitrile
[EINECS(EC#)]

202-325-5
[Molecular Formula]

C10H12N2
[MDL Number]

MFCD00019856
[Molecular Weight]

160.22
[MOL File]

94-34-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

313 °C(lit.)
[density ]

1.035 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.56(lit.)
[Fp ]

125-127°C/4mm
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[pka]

4.54±0.50(Predicted)
[color ]

White to Yellow to Green
[Specific Gravity]

1.05
[BRN ]

2803416
[CAS DataBase Reference]

94-34-8(CAS DataBase Reference)
[EPA Substance Registry System]

94-34-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[PackingGroup ]

III
[HS Code ]

29214300
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formic acid-->Acrylonitrile-->N-Methylaniline-->3-Anilinopropionitrile-->Acetonitrile
[Preparation Products]

Basic Blue 162-->Disperse Orange 25:1-->Basic Blue 162-->Benzeneethanaminium, 4-[2-[4-[(2-cyanoethyl)methylamino]phenyl]diazenyl]-N,N,N-trimethyl-β-oxo-, chloride (1:1)
Spectrum DetailBack Directory
[Spectrum Detail]

N-Cyanoethyl-N-methylaniline(94-34-8)MS
N-Cyanoethyl-N-methylaniline(94-34-8)1HNMR
N-Cyanoethyl-N-methylaniline(94-34-8)13CNMR
N-Cyanoethyl-N-methylaniline(94-34-8)IR1
N-Cyanoethyl-N-methylaniline(94-34-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N-(2-Cyanoethyl)-N-methylaniline, 97%(94-34-8)
[Sigma Aldrich]

94-34-8(sigmaaldrich)
[TCI AMERICA]

N-(2-Cyanoethyl)-N-methylaniline,>97.0%(GC)(94-34-8)
Hazard InformationBack Directory
[Synthesis]

An activated carbon-supported platinum catalyst (Pt / C, 0.06 mg platinum, 0.0003 mmol, 0.1 mol percent) was added to a 10 mL Schlenk tube; after the evacuation of argon, add 1 mL of solvent (toluene). Under argon protection, to the above system, Were successively added phenylsilane (78.9 mg, 0.75 mmol), 3-Anilinopropionitrile (43.9 mg, 0.3 mmol) and formic acid (27.6 mg, 0.6 mmol). The whole anti-reaction was carried out at 80 ° C with stirring for 15 hours. After completion of the reaction, 3 mL of ethyl acetate was added to the system. The reaction was quenched with aqueous sodium hydroxide (3 mol / L, 3 mL). Ethyl acetate (3 x 10 mL), the organic phase was separated, Dried over anhydrous Na2SO4, and filtered; the solvent was removed by rotary evaporation. The residue was purified by column chromatography on ethyl acetate/petroleum ether = 1: 50 mixed solvent. Separation and purification gave N-(2-Cyanoethyl)-N-methyl aniline 226.4 mg, yield of 55 per cent.
[References]

[1] Journal of Organic Chemistry, 2015, vol. 80, # 20, p. 10375 - 10379
[2] Tetrahedron, 2013, vol. 69, # 6, p. 1712 - 1716
[3] Green Chemistry, 2010, vol. 12, # 5, p. 786 - 789
[4] Synthesis, 2008, # 24, p. 3931 - 3936
[5] Journal of the American Chemical Society, 1944, vol. 66, p. 725,728
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