ChemicalBook--->CAS DataBase List--->884494-82-0

884494-82-0

884494-82-0 Structure

884494-82-0 Structure
IdentificationBack Directory
[Name]

5-Fluoro-2-methoxynicotinic acid
[CAS]

884494-82-0
[Synonyms]

5-FLUORO-2-METHOXYNICOTINIC ACID
5-Fluoro-2-methoxypyridine-3-carboxylic acid
3-Pyridinecarboxylicacid, 5-fluoro-2-methoxy-
5-Fluoro-2-methoxynicotinic acid ISO 9001:2015 REACH
5-Fluoro-2-methoxypyridine-3-carboxylic acid, 3-Carboxy-5-fluoro-2-methoxypyridine
[EINECS(EC#)]

145-896-5
[Molecular Formula]

C7H6FNO3
[MDL Number]

MFCD04972399
[MOL File]

884494-82-0.mol
[Molecular Weight]

171.13
Chemical PropertiesBack Directory
[Boiling point ]

283.7±35.0 °C(Predicted)
[density ]

1.386±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[pka]

3.02±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H6FNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
[InChIKey]

WMTDYCWMCDHQHR-UHFFFAOYSA-N
[SMILES]

C1(OC)=NC=C(F)C=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

5-Fluoro-2-methoxynicotinic acid(884494-82-0)1HNMR
5-Fluoro-2-methoxynicotinic acid(884494-82-0)19FNMR
5-Fluoro-2-methoxynicotinic acid(884494-82-0)13CNMR
Hazard InformationBack Directory
[Synthesis]

5-FLUORO-2-METHOXYNICOTINALDEHYDE

351410-62-3

5-Fluoro-2-methoxynicotinic acid

884494-82-0

In a round-bottomed flask, 5-fluoro-2-methoxypyridine-3-carbaldehyde (37, 0.500 g, 3.22 mmol) was dissolved in a solvent mixture of 30 mL of 1,4-dioxane and 10 mL of water, to which was added sodium chlorite (0.6734 g, 5.957 mmol) and sulfamic acid (2.39 g, 24.6 mmol) in that order. The reaction mixture was stirred at room temperature for 5 min and then poured into 100 mL of water and extracted with 100 mL of ethyl acetate. The organic layer was washed with water and brine sequentially, dried over anhydrous magnesium sulfate, filtered and the filtrate was concentrated in vacuum to give the crude product 5-fluoro-2-methoxynicotinic acid (150, 512 mg), which was used directly in the subsequent reaction.

[References]

[1] Patent: US9096593, 2015, B2. Location in patent: Page/Page column 321; 322
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