| Identification | Back Directory | [Name]
3-Hydroxythiophene-2-carboxylic acid | [CAS]
5118-07-0 | [Synonyms]
3-Hydroxythiophene-2-carboxylic acid
3-Hydroxy-2-thiophenecarboxylic acid
2-(dihydroxymethylidene)-3-thiophenone
2-Thiophenecarboxylic acid, 3-hydroxy-
3-Hydroxythiophene-2-carboxylic acid 97%
2-Carboxy-3-hydroxythiophene, 3-Hydroxy-2-thenoic acid
3-Hydroxythiophene-2-carboxylic acid ISO 9001：2015 REACH | [Molecular Formula]
C5H4O3S | [MDL Number]
MFCD09414719 | [MOL File]
5118-07-0.mol | [Molecular Weight]
144.148 |
| Chemical Properties | Back Directory | [Melting point ]
108 °C(Solv: acetone (67-64-1)) | [Boiling point ]
326.4±27.0 °C(Predicted) | [density ]
1.603±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C(protect from light) | [form ]
crystalline powder | [pka]
3.79±0.10(Predicted) | [color ]
Brown/grey |
| Hazard Information | Back Directory | [Uses]
3-Hydroxythiophene-2-carboxylic acid (cas# 5118-07-0) is a useful research chemical. This compound is useful because furoates and thenoates inhibit pyruvate dehydrogenase kinase 2 allosterically by binding to its pyruvate regulatory site. | [Synthesis]
General procedure for the synthesis of 3-hydroxythiophene-2-carboxylic acid from 3-benzyloxythiophene-2-carboxylic acid: a) 3-benzyloxythiophene-2-carboxylic acid (1.0 g) was hydrogenated with 10% palladium-carbon catalyst (1.8 g) in a mixture of ethanol (150 mL) and 2N hydrochloric acid (4.5 mL) for 2 hours at 45 psi hydrogen pressure. Upon completion of the reaction, the mixture was filtered through a layer of diatomaceous earth and the filtrate was concentrated under vacuum to afford 3-hydroxythiophene-2-carboxylic acid (600 mg, 98% yield) as an off-white solid product. The product was characterized by 1H NMR (300 MHz, CDCl3): δ 6.78 (d, 1H), 7.49 (d, 1H). Mass spectrometry (APCI) showed m/z=145 (M+1).LC/MS analysis showed a retention time of 1.15 min. | [References]
[1] Patent: WO2007/1225, 2007, A1. Location in patent: Page/Page column 16 |
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