2-(Ethylthio)acetic acid
(Ethylthio)Acetic Acid
CAS: 627-04-3
Molecular Formula: C4H8O2S
2-(Ethylthio)acetic acid - Names and Identifiers
2-(Ethylthio)acetic acid - Physico-chemical Properties
| Molecular Formula | C4H8O2S |
| Molar Mass | 120.17 |
| Density | 1.164±0.06 g/cm3 (20 ºC 760 Torr) |
| Melting Point | -8.5℃ |
| Boling Point | 117-118°C 11mm |
| Flash Point | 117-118°C/11mm |
| Appearance | liquid |
| Specific Gravity | 1.149 |
| BRN | 1743038 |
| pKa | 3.84±0.10(Predicted) |
| Storage Condition | 室温,干燥 |
| Refractive Index | 1.4860 |
| MDL | MFCD00021769 |
2-(Ethylthio)acetic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R34 - Causes burns R36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 3265 |
| TSCA | Yes |
| Hazard Class | 8 |
| Packing Group | II |
2-(Ethylthio)acetic acid - Reference Information
| application | (ethyl thio) acetic acid can be used as an intermediate in pharmaceutical synthesis, mainly used in laboratory research and development process and chemical production process. |
| Preparation | 1) Add bromoalkyl carboxylate (31)(1eq) within 5 minutes to a solution of stirred sodium alkanethiol (32)(1 equivalent) in anhydrous DMF(10mL) at 0°C. The reaction mixture was stirred at room temperature for 15 hours. The reaction progress was monitored by thin layer chromatography (TLC). The reaction mixture was diluted with ethyl acetate (20mL) and washed with a saturated NaHCO3 solution (the water layer was quenched with bleach). The organic layer was dried with anhydrous Na2SO4 to obtain the corresponding alkylthioether carboxylate (33), which was purified by silica gel column chromatography and separated into colorless oils using gradients of hexane and ethyl acetate. 2) Add 2N aqueous solution to the stirred ethyl sulfide ether acetate (33)(0.1 moles, 1 equivalent) ethanol (20 ml) solution. NaOH(1.5 equivalent) was added dropwise to the reaction mixture. The reaction mixture was stirred at room temperature for 30 minutes (the reaction progress was monitored by TLC). After the reaction is completed, the reaction mixture is concentrated on a rotary evaporator, and the residue is cooled in an ice bath. Several pieces of crushed ice were introduced into the flask and neutralized with 1NHCl. The product was extracted with ethyl acetate (20 × 20mL). The combined extracts were dried by Na2SO4 and evaporated at 0°C on a rotary evaporator. The residue was purified by silica gel column chromatography using hexane as eluent to give pure (ethylthio) acetic acid (14). |
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Last Update：2024-04-10 22:29:15
