ChemicalBook--->CAS DataBase List--->860296-24-8

860296-24-8

860296-24-8 Structure

860296-24-8 Structure
IdentificationBack Directory
[Name]

6-Chloro-5-fluoro-pyridine-2-carboxylic acid
[CAS]

860296-24-8
[Synonyms]

6-Chloro-5-fluoropicolinic acid
2-Chloro-3-fluoro-6-carboxypyridine
6-Chloro-5-fluoro-pyridine-2-carboxylic acid
6-Chloro-5-fluoropyridine-2-carboxylic acid AldrichCPR
[Molecular Formula]

C6H3ClFNO2
[MDL Number]

MFCD13185819
[MOL File]

860296-24-8.mol
[Molecular Weight]

175.545
Chemical PropertiesBack Directory
[Melting point ]

193-195 °C(Solv: heptane (142-82-5))
[Boiling point ]

310.3±37.0 °C(Predicted)
[density ]

1.576±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Solid
[pka]

3.21±0.10(Predicted)
[color ]

Off-white
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C6H3ClFNO2/c7-5-3(8)1-2-4(9-5)6(10)11/h1-2H,(H,10,11)
[InChIKey]

JHFKXHUKNYFWJM-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=NC(Cl)=C(F)C=C1
[CAS DataBase Reference]

860296-24-8
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
[WGK Germany ]

3
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

It is an important intermediate for pharmaceutical.
[Synthesis]

Methyl 6-chloro-5-fluoropicolinate

1214337-05-9

6-Chloro-5-fluoro-pyridine-2-carboxylic acid

860296-24-8

Step 3: Synthesis of 6-chloro-5-fluoropyridinecarboxylic acid Methyl 6-chloro-5-fluoropyridinecarboxylate (1.35 g, 7.095 mmol) was dissolved in a solvent mixture of THF and H2O (6:1, 42 mL, v/v), followed by addition of lithium hydroxide monohydrate (596 mg, 14.19 mmol). The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure, distilled water (20 mL) was added to dissolve the residue, and the solution was acidified by slow dropwise addition of 1N HCl aqueous solution. The acidified solution was extracted with 5% MeOH/MC (30 mL × 2). The organic layers were combined, dried with anhydrous sodium sulfate, filtered, concentrated and dried under vacuum to give 1.04 g of white solid product in 80% yield.

[References]

[1] Patent: WO2011/139107, 2011, A2. Location in patent: Page/Page column 83-84
Spectrum DetailBack Directory
[Spectrum Detail]

6-Chloro-5-fluoro-pyridine-2-carboxylic acid(860296-24-8)1HNMR
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