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| | 3-Methyl-2-thiophenecarboxylic acid Basic information |
| | 3-Methyl-2-thiophenecarboxylic acid Chemical Properties |
| Melting point | 147-149 °C(lit.) | | Boiling point | 229.75°C (rough estimate) | | density | 1.365 (estimate) | | refractive index | 1.5300 (estimate) | | storage temp. | 2-8°C(protect from light) | | pka | 3.68±0.10(Predicted) | | form | solid | | color | White to Light yellow to Light orange | | BRN | 116184 | | InChI | InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) | | InChIKey | IFLKEBSJTZGCJG-UHFFFAOYSA-N | | SMILES | C1(C(O)=O)SC=CC=1C | | CAS DataBase Reference | 23806-24-8(CAS DataBase Reference) | | NIST Chemistry Reference | 3-Methyl-2-thiophenecarboxylic acid(23806-24-8) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 24/25 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29349990 | | Storage Class | 11 - Combustible Solids |
| | 3-Methyl-2-thiophenecarboxylic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 3-Methyl-2-thiophenecarboxylic acid has been used in the synthesis of zinc and cadmium carboxylate complexes. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 28, p. 914, 1963 DOI: 10.1021/jo01039a008
Tetrahedron Letters, 26, p. 1777, 1985 DOI: 10.1016/S0040-4039(00)98336-9 | | General Description | 3-Methyl-2-thiophenecarboxylic acid has been used in the synthesis of zinc and cadmium carboxylate complexes. | | Synthesis | In a four-necked flask equipped with a stirrer, a thermometer, a cooling tube and a dropping funnel under a nitrogen atmosphere, 11.8 g of magnesium and 250 mL of tetrahydrofuran were added, followed by the addition of 2.05 g of ethyl bromide, which was allowed to react under heated reflux for 15 minutes. Then, 50 g of was added dropwise while maintaining reflux.
A mixture of 2-chloro-3-methylthiophene and 4.1 g of ethyl bromide was then added dropwise while maintaining reflux and allowed to react under heat for 30 minutes. Then, 4.11 g of ethyl bromide was added and allowed to react under heated reflux for another 1 hour. Carbon dioxide was introduced into the resulting reaction solution at 25 to 35C and allowed to react at room temperature for 2 hours. Water was added to the resulting reaction solution, and then concentrated hydrochloric acid was added to adjust the reaction solution to a pH of 2 or less. Then, the aqueous layer was removed by partitioning, water was added to the resulting organic layer, and then the solvent was removed by distillation, thereby obtaining a slurry of 3-methyl-2-thiophenecarboxylic acid. The resulting slurry was filtered and dried, thereby obtaining 50.5 g of 3-methylthiophene-2-carboxylic acid. |
| | 3-Methyl-2-thiophenecarboxylic acid Preparation Products And Raw materials |
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