ChemicalBook--->CAS DataBase List--->1018678-38-0

1018678-38-0

1018678-38-0 Structure

1018678-38-0 Structure
IdentificationBack Directory
[Name]

4-amino-2-chloronicotinic acid
[CAS]

1018678-38-0
[Synonyms]

4-amino-2-chloronicotinic acid
4-amino-2-chloropyridine-3-carboxylic acid
4-amino-2-chloro-3-Pyridinecarboxylic acid
3-Pyridinecarboxylic acid, 4-amino-2-chloro-
[Molecular Formula]

C6H5ClN2O2
[MDL Number]

MFCD13188881
[MOL File]

1018678-38-0.mol
[Molecular Weight]

172.57
Chemical PropertiesBack Directory
[Boiling point ]

419.4±45.0 °C(Predicted)
[density ]

1.577±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

1.21±0.25(Predicted)
[Appearance]

White to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

4-amino-2-chloronicotinic acid(1018678-38-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-Pyridinecarboxylic acid, 4-aMino-2-chloro-, Methyl ester

1018678-37-9

4-amino-2-chloronicotinic acid

1018678-38-0

Preparation of 4-amino-2-chloronicotinic acid: 4-amino-2-chloronicotinic acid methyl ester (21.0 g, 112.9 mmol) and LiOH (10.3 g, 247.5 mmol) were added to a solvent mixture of dioxane:MeOH:water (3:2:1). The reaction mixture was heated to 85 °C and kept for 2 hours. The solvent was removed by evaporation under reduced pressure and the residue was dissolved in a minimum volume of water and acidified to pH 4 with saturated citric acid solution. the aqueous solution was concentrated until a precipitate just started to appear. The mixture was allowed to stand overnight at 10°C to allow complete precipitation. The resulting white solid was collected by filtration and recrystallized from the mixture of isopropanol-hexane solvent to give 4-amino-2-chloronicotinic acid (13 g, 66% yield).1H NMR (400 MHz, DMSO-d6): δ 7.59 (d, 1H), 6.47 (d, 1H), 6.37 (brs, 2H).

[References]

[1] Patent: US2008/85887, 2008, A1. Location in patent: Page/Page column 18
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