ChemicalBook--->CAS DataBase List--->216955-75-8

216955-75-8

216955-75-8 Structure

216955-75-8 Structure
IdentificationBack Directory
[Name]

6-(1H-IMIDAZOL-1-YL)NICOTINIC ACID
[CAS]

216955-75-8
[Synonyms]

6-(1H-Imidazol-1-yl)
6-IMIDAZOL-1-YL-NICOTINIC ACID
6-(1H-Imidazol-1-yl)nicotinicaci
6-(1H-IMIDAZOL-1-YL)NICOTINIC ACID
6-imidazol-1-ylpyridine-3-carboxylic acid
6-(1H-imidazol-1-yl)-3-Pyridine carboxylic acid
3-Pyridinecarboxylic acid, 6-(1H-imidazol-1-yl)-
Pyridine,2,4-dichloro-, 1-oxide6-(1H-IMIDAZOL-1-YL)NICOTINIC ACID
6-(1H-Imidazol-1-yl)pyridine-3-carboxylic acid, 1-(5-Carboxypyridin-2-yl)-1H-imidazole
[Molecular Formula]

C9H7N3O2
[MDL Number]

MFCD00140821
[MOL File]

216955-75-8.mol
[Molecular Weight]

189.17
Chemical PropertiesBack Directory
[Melting point ]

>270°
[Boiling point ]

442.5±30.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

2.92±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Hazard InformationBack Directory
[Synthesis]

METHYL 6-(1H-IMIDAZOL-1-YL)NICOTINATE

111205-01-7

6-(1H-IMIDAZOL-1-YL)NICOTINIC ACID

216955-75-8

General procedure for the synthesis of 6-(1H-imidazol-1-yl)nicotinic acid from 6-(1H-imidazol-1-yl)nicotinic acid methyl ester: In a round-bottomed flask, 6-(1H-imidazol-1-yl)nicotinic acid methyl ester (535 mg, 2.50 mmol), tetrahydrofuran (12 mL), sodium hydroxide (780 mg, 19.50 mmol), and methanol (10 mL) were added, and the reaction was conducted at 50°C for 3 h. The reaction was heated at 50°C for 3 h. Upon completion of the reaction, the reaction mixture was acidified with 1N hydrochloric acid and subsequently concentrated to dryness under reduced pressure. The resulting solid was suspended in a mixed solvent of methanol/dichloromethane, filtered and concentrated to give 6-(1H-imidazol-1-yl)nicotinic acid as a white solid (0.47 g, 68% yield).LCMS (m/z): 190.0 (M + 1).

[References]

[1] Patent: WO2014/168824, 2014, A1. Location in patent: Page/Page column 39; 40
[2] Patent: WO2011/94890, 2011, A1. Location in patent: Page/Page column 130
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