ChemicalBook--->CAS DataBase List--->380626-81-3

380626-81-3

380626-81-3 Structure

380626-81-3 Structure
IdentificationBack Directory
[Name]

ethyl 4-amino-6-chloronicotinate
[CAS]

380626-81-3
[Synonyms]

ethyl 4-amino-6-chloronicotite
ethyl 4-amino-6-chloronicotinate
4-aMino-6-chloro Nicotinic acid ethyl
ethyl 4-aMino-6-chloropyridine-3-carboxylate
4-aMino-6-chloropyridine-3-carboxylic acid ethyl ester
3-Pyridinecarboxylic acid, 4-aMino-6-chloro-, ethyl ester
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C8H9ClN2O2
[MDL Number]

MFCD00834975
[MOL File]

380626-81-3.mol
[Molecular Weight]

200.62
Chemical PropertiesBack Directory
[Boiling point ]

335.8±37.0 °C(Predicted)
[density ]

1.326±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

2.75±0.42(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C8H9ClN2O2/c1-2-13-8(12)5-4-11-7(9)3-6(5)10/h3-4H,2H2,1H3,(H2,10,11)
[InChIKey]

OAQIVHCEAFDMTK-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=CC(N)=C1C(OCC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

Ethyl 4-Amino-6-chloronicotinate is a useful reagent in the preparation of biologically active small molecules with pharmaceutical application.
[Synthesis]

3-Pyridinecarboxylic acid, 6-chloro-4-[[(2,4-dimethoxyphenyl)methyl]amino]-, ethyl ester

1588423-42-0

ethyl 4-amino-6-chloronicotinate

380626-81-3

Ethyl 6-chloro-4-((2,4-dimethoxybenzyl)amino)nicotinate (15 g, 42.8 mmol) was used as a raw material, which was mixed with trifluoroacetic acid (TFA, 80 mL), heated to 50 °C and the reaction was maintained for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was subsequently removed under reduced pressure. The pH of the residue was adjusted to 8 with aqueous sodium bicarbonate (NaHCO3) and then extracted with ethyl acetate (EtOAc). The organic layer was washed with saturated saline, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated. Finally, the residue was purified by silica gel column chromatography (petroleum ether:ethyl acetate=4:1) to afford the target product ethyl 4-amino-6-chloronicotinate (5.1 g, 61% yield) as a white solid.

[References]

[1] Patent: WO2015/120049, 2015, A1. Location in patent: Page/Page column 218
[2] Patent: WO2014/52365, 2014, A1. Location in patent: Page/Page column 180-181
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 4-amino-6-chloronicotinate(380626-81-3)1HNMR
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