ChemicalBook--->CAS DataBase List--->4377-58-6

4377-58-6

4377-58-6 Structure

4377-58-6 Structure
IdentificationBack Directory
[Name]

5-FLUORO-2-THIOPHENECARBOXYLIC ACID
[CAS]

4377-58-6
[Synonyms]

AKOS B029946
4-fluorothiop
5-Fluoro-thiophene-2-carb...
5-Fluorothiophen-2-carboxylic acid
4-fluorothiophene-2-carboxylic acid
5-FLUORO-2-THIOPHENECARBOXYLIC ACID
5-Fluoro-thiophene-2-carboxylic acid
2-Thiophenecarboxylicacid, 5-fluoro-
[Molecular Formula]

C5H3FO2S
[MDL Number]

MFCD07787557
[MOL File]

4377-58-6.mol
[Molecular Weight]

146.14
Chemical PropertiesBack Directory
[Melting point ]

139-141℃
[Boiling point ]

271.2±20.0 °C(Predicted)
[density ]

1.527±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

3.52±0.10(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
[InChIKey]

XQURBTZGKJENJS-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)SC(F)=CC=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Questions And AnswerBack Directory
[Application]

5-Fluorothiophene-2-carboxylic acid is an organic synthesis intermediate and a pharmaceutical intermediate that can be used in laboratory research and development processes and chemical production processes.
Spectrum DetailBack Directory
[Spectrum Detail]

5-FLUORO-2-THIOPHENECARBOXYLIC ACID(4377-58-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Fluorothiophene-2-carbonitrile

32415-91-1

5-FLUORO-2-THIOPHENECARBOXYLIC ACID

4377-58-6

General procedure for the synthesis of 5-fluorothiophene-2-carboxylic acid from 5-fluorothiophene-2-carbonitrile: 138 mg (1.07 mmol) of 5-fluorothiophene-2-carbonitrile and 5 ml of 1N sodium hydroxide solution were added to an eggplant flask, and the mixture was heated and stirred in an oil bath at 100 °C for 2 hours. After completion of the reaction, the reaction solution was cooled to room temperature. Subsequently, 5 ml of water was added to the reaction solution for dilution and the pH was adjusted with 10 ml of 1N hydrochloric acid to 1. Next, the mixture was extracted twice with 30 ml of dichloromethane. The organic layers were combined and dried with anhydrous sodium sulfate. Finally, the solvent was removed by concentration under reduced pressure to give 110 mg of 5-fluorothiophene-2-carboxylic acid.

[References]

[1] Patent: US6043379, 2000, A
[2] Patent: US6096901, 2000, A
[3] Patent: US2013/137730, 2013, A1. Location in patent: Paragraph 0092
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