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621-03-4

621-03-4 Structure

621-03-4 Structure
IdentificationBack Directory
[Name]

2-CYANOACETANILIDE
[CAS]

621-03-4
[Synonyms]

AKOS B029726
Cyanoacetanilide
2-CYANOACETANILIDE
N-Phenylcyanoacetamide
2-Cyanoacetanilide,98%
O-ACETAMINOBENZONITRILE
O-ACETAMIDOBENZONITRILE
2-cyano-n-phenyl-acetamid
2-Cycno-N-phenylacetamide
2-CYANO-N-PHENYLACETAMIDE
N-Phenyl-2-cyanoacetamide
2-Cyanoacetanilide, 98% 25GR
phenylcarbaMoyl-acetonitrile
[EINECS(EC#)]

210-666-6
[Molecular Formula]

C9H8N2O
[MDL Number]

MFCD00019840
[MOL File]

621-03-4.mol
[Molecular Weight]

160.17
Chemical PropertiesBack Directory
[Appearance]

yellowish crystalline powder
[Melting point ]

198-202 °C
[Boiling point ]

286.07°C (rough estimate)
[density ]

1.1846 (rough estimate)
[refractive index ]

1.5570 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

-1.03±0.10(Predicted)
[color ]

White to Light yellow
[CAS DataBase Reference]

621-03-4
[EPA Substance Registry System]

Acetamide, 2-cyano-N-phenyl- (621-03-4)
Hazard InformationBack Directory
[Chemical Properties]

yellowish crystalline powder
[Synthesis]

Aniline

62-53-3

Ethyl cyanoacetate

105-56-6

2-CYANOACETANILIDE

621-03-4

A mixture of aniline and ethyl cyanoacetate was added to a 20 mL round-bottom flask followed by [PyPS]3PW12O40 catalyst (140 mg, 0.04 mmol). The reaction mixture was placed in a microwave reactor, heated to the corresponding temperature at 700 W power and stirred. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was diluted with ethyl acetate (20 mL) and stirred continuously for 30 min. The insoluble catalyst was recovered by filtration or centrifugal separation. The filtrate is evaporated and the resulting residue is nearly pure 2-cyanoacetanilide. For further purification, recrystallization or column chromatography may be used.

[References]

[1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1985, vol. 21, # 8, p. 998 - 1002
[2] Khimiya Geterotsiklicheskikh Soedinenii, 1985, vol. 21, # 8, p. 1202 - 1206
[3] Tetrahedron Letters, 2015, vol. 56, # 30, p. 4527 - 4531
[4] Synthesis (Germany), 2013, vol. 45, # 1, p. 45 - 52
[5] Pharmazie, 1984, vol. 39, # 1, p. 19 - 21
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

24/25
[TSCA ]

TSCA listed
[HS Code ]

29269095
Spectrum DetailBack Directory
[Spectrum Detail]

2-CYANOACETANILIDE(621-03-4)1HNMR
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