ChemicalBook--->CAS DataBase List--->253315-22-9

253315-22-9

253315-22-9 Structure

253315-22-9 Structure
IdentificationBack Directory
[Name]

6-(1H-Pyrazol-1-yl)nicotinic acid
[CAS]

253315-22-9
[Synonyms]

6-Pyrazol-1-yl-nicotinic acid
6-(1H-Pyrazol-1-yl)nicotinic acid
6-(1H-Pyrazol-1-yl)nicotinic acid ,97%
6-pyrazol-1-ylpyridine-3-carboxylic acid
6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid
3-Pyridinecarboxylic acid, 6-(1H-pyrazol-1-yl)-
[Molecular Formula]

C9H7N3O2
[MDL Number]

MFCD00140749
[MOL File]

253315-22-9.mol
[Molecular Weight]

189.17
Chemical PropertiesBack Directory
[Melting point ]

272-274℃
[Boiling point ]

394.6±27.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.28±0.10(Predicted)
[color ]

White to off-white
[CAS DataBase Reference]

253315-22-9
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

6-(1H-Pyrazol-1-yl)nicotinic acid is used as a ligand in the synthesis of MOF materials.
[Synthesis]

ETHYL 6-(1H-PYRAZOL-1-YL)PYRIDINE-3-CARBOXYLATE

1428929-49-0

6-(1H-Pyrazol-1-yl)nicotinic acid

253315-22-9

Compound 1 (CAS: 1428929-49-0, 8.66 g, 40.43 mmol, 1.0 eq.) was dissolved in anhydrous ethanol (80 mL), followed by slow addition of 3 M aqueous sodium hydroxide solution (40.40 mL, 121.3 mmol, 3.0 eq.). The reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the solvent was removed by reduced pressure distillation and the residue was dissolved in deionized water (60 mL). The aqueous phase was extracted twice with ether (40 mL × 2) to remove organic impurities. Subsequently, the pH of the aqueous phase was adjusted to 3 with 2 M aqueous hydrochloric acid, at which time a white solid precipitated. The white solid was collected by filtration and dried to give 6-(1H-pyrazol-1-yl)nicotinic acid (7.42 g, 97% yield). The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 6.65 (dd, J = 2.7, 1.6 Hz, 1H, Ar-H), 7.92 (dd, J = 1.6, 0.8 Hz, 1H, Ar-H), 8.04 (dd, J = 8.6, 0.8 Hz, 1H, Ar-H), 8.44 (dd, J = 8.6 , 2.3 Hz, 1H, Ar-H), 8.70 (dd, J = 2.7, 0.8 Hz, 1H, Ar-H), 8.96 (dd, J = 2.3, 0.8 Hz, 1H, Ar-H), 13.44 (s, 1H, COOH).

[References]

[1] European Journal of Medicinal Chemistry, 2018, vol. 154, p. 68 - 90
[2] Patent: WO2014/85210, 2014, A1. Location in patent: Page/Page column 40
Spectrum DetailBack Directory
[Spectrum Detail]

6-(1H-Pyrazol-1-yl)nicotinic acid(253315-22-9)1HNMR
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