| Identification | More | [Name]
5-FORMYL-2-THIOPHENECARBOXYLIC ACID | [CAS]
4565-31-5 | [Synonyms]
5-FORMYL-2-THIOPHENECARBOXYLIC ACID
5-FORMYLTHENOIC ACID
5-FORMYL-THIOPHEN-2-CARBOXYLIC ACID
5-FORMYL-THIOPHENE-2-CARBOXYLIC ACID
AKOS MSC-0225
AURORA KA-6755
5-Formyl-2-thiophenecarboxylic acid ,98% | [Molecular Formula]
C6H4O3S | [MDL Number]
MFCD00191437 | [Molecular Weight]
156.16 | [MOL File]
4565-31-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
169 °C | [Boiling point ]
371.4±27.0 °C(Predicted) | [density ]
1.514±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.05±0.10(Predicted) | [color ]
Light yellow to Brown | [Detection Methods]
HPLC | [InChI]
InChI=1S/C6H4O3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9) | [InChIKey]
VFEAMMGYJFFXKV-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)SC(C=O)=CC=1 | [CAS DataBase Reference]
4565-31-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
Bright red solid | [Uses]
5-Formyl-2-thiophenecarboxylic acid is a thiophene derivative as immunomodulating agents useful in the treatment of autoimmune diseases.
| [Synthesis]
General procedure for the synthesis of 5-formyl-2-thiophenecarboxylic acid from methyl 5-formylthiophene-2-carboxylate: the compound methyl 5-formylthiophene-2-carboxylic acid (2 g, 12.8 mmol) was dissolved in 200 mL of a mixed solvent (THF:H2O = 1:1), and the hydrolysis reaction was carried out by adding KOH (1.1 g, 19.2 mmol). Upon completion of the reaction, THF was removed by distillation under reduced pressure.Subsequently, the pH of the aqueous layer was adjusted to 1-2 with 1N HCl solution and extracted with ethyl acetate (200 mL × 5), resulting in the target compound 5-formyl-2-thiophenecarboxylic acid (1.2 g, 59% yield).1H NMR (300 MHz, CDCl3) δ 10.00 (s, 1H), 7.93- 7.92 (d, J = 3.92 Hz, 1H), 7.78-7.77 (d, J = 3.9 Hz, 1H).13C NMR (300 MHz, CDCl3) δ 182.2, 163.30, 141.57, 139.70, 133.79, 132. | [References]
[1] Patent: WO2004/37808, 2004, A1. Location in patent: Page 14-15; 93 |
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