|
|
| | 4-OXO-4-(2-THIENYL)BUTYRIC ACID Basic information |
| | 4-OXO-4-(2-THIENYL)BUTYRIC ACID Chemical Properties |
| Melting point | 118-121 °C(lit.) | | Boiling point | 400.5±25.0 °C(Predicted) | | density | 1.334±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 4.44±0.17(Predicted) | | Appearance | White to off-white Solid | | BRN | 133870 | | CAS DataBase Reference | 4653-08-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | TSCA | Yes | | HazardClass | IRRITANT | | HS Code | 29349990 |
| | 4-OXO-4-(2-THIENYL)BUTYRIC ACID Usage And Synthesis |
| Chemical Properties | Beige crystalline powder | | Definition | ChEBI: A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4. | | Synthesis | General procedure for the synthesis of 3-(2-thiophenecarbonyl)propionic acid from the compound (CAS:188290-36-0) and succinic anhydride: thiophene (5.0 g, 0.059 mol) and succinic anhydride (7.13 g, 0.0713 mol) were dissolved in ethylene dichloride (50 mL). Aluminum chloride (17.43 g, 0.131 mol) was added at room temperature and the resulting mixture was heated to reflux for 1 hour with stirring. The reaction mixture was cooled to room temperature and diluted with 30 mL of a 1:1 mixture of water and concentrated hydrochloric acid. After stirring for 10 min, the solid was separated by diafiltration and washed with water and dilute hydrochloric acid (50 mL). The solid was dried at room temperature to give 9.8 g (89% yield) of 3-(2-thiophenecarbonyl)propionic acid with a melting point of 103-107°C. 1H NMR (CDCl3, δ): 7.69 (dd, 1H), 7.58 (dd, 1H), 7.07 (dd, 1H), 3.9 (bs, 1H), 3.23 (t, 2H), 2.74 (t, 2H). 2H). | | References | [1] Patent: WO2004/26848, 2004, A1. Location in patent: Page 33 [2] European Journal of Pharmacology, 2014, vol. 727, # 1, p. 1 - 7 [3] Patent: CN108341797, 2018, A. Location in patent: Paragraph 0008; 0017 [4] Patent: WO2010/76188, 2010, A1. Location in patent: Page/Page column 17-19 [5] Archiv der Pharmazie, 1988, vol. 321, # 10, p. 735 - 738 |
| | 4-OXO-4-(2-THIENYL)BUTYRIC ACID Preparation Products And Raw materials |
|