ChemicalBook--->CAS DataBase List--->6414-58-0

6414-58-0

6414-58-0 Structure

6414-58-0 Structure
IdentificationBack Directory
[Name]

DIETHYL 2-ANILINOMALONATE
[CAS]

6414-58-0
[Synonyms]

Diethyl 2-(phenylamino)
DIETHYL 2-ANILINOMALONATE
DIETHYL 2-PHENYLAMINOMALONATE
diethyl 2-anilinopropanedioate
2-Anilinomalonic acid diethyl ester
Diethyl 2-(phenylamino)malonate 95+%
2-Phenylamino-malonic acid diethyl ester
2-(Phenylamino)propanedioic acid diethyl ester
1H-Pyrazole,5-bromo-1-(tetrahydro-2H-pyran-4-yl)-
Propanedioic acid, 2-(phenylamino)-, 1,3-diethyl ester
[Molecular Formula]

C13H17NO4
[MDL Number]

MFCD00122281
[MOL File]

6414-58-0.mol
[Molecular Weight]

251.28
Chemical PropertiesBack Directory
[Melting point ]

43-45 °C
[Boiling point ]

340.6±22.0 °C(Predicted)
[density ]

1.167±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[pka]

14.73±0.59(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[HazardClass ]

IRRITANT
[HS Code ]

2922390090
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL 2-ANILINOMALONATE(6414-58-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

DIETHYL BROMOMALONATE

685-87-0

DIETHYL 2-ANILINOMALONATE

6414-58-0

(1) Synthesis of diethyl anilino malonate: Aniline (18.6 g, 0.20 mol) was dissolved in anhydrous benzene (125 mL), followed by the addition of diethyl bromomalonate (23.9 g, 0.10 mol). The reaction mixture was heated to reflux under continuous stirring and maintained for 37 hours. Upon completion of the reaction, the reaction mixture was washed with dilute hydrochloric acid to remove unreacted aniline. The organic layer was separated, washed three times with water and dried with anhydrous magnesium sulfate. Subsequently, the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography using hexane/ethyl acetate (10:1, v/v) as eluent to afford 7.5 g (30% yield) of diethyl anilino malonate. The product was characterized by nuclear magnetic resonance (NMR) with the following data: 1H NMR (δ, TMS, CCl4): 1.20 (6H, t, J = 7 Hz), 4.20 (4H, q, J = 7 Hz), 4.66 (2H, s, br; changed to 1H after addition of D2O), 6.5-7.3 (5H, m).

[References]

[1] Patent: US4421914, 1983, A
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