16806-93-2
6,7-Dihydro-4(5H)-benzofuranone
CAS: 16806-93-2
Molecular Formula: C8H8O2
16806-93-2 - Names and Identifiers
| Name | 6,7-Dihydro-4(5H)-benzofuranone |
| Synonyms | 6,7-Dihydro-4(5H)-be 6,7-dihydrobenzofuran-4(5H)-one 2,3-Dihydro-4(5H)-benzofuranone 6,7-DIHYDRO-4(5H)-BENZOFURANONE 6,7-Dihydro-4(5H)-benzofuranone 6,7-DIHYDRO-1-BENZOFURAN-4(5H)-ONE |
| CAS | 16806-93-2 |
| InChI | InChI=1/C8H8O2/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2 |
16806-93-2 - Physico-chemical Properties
| Molecular Formula | C8H8O2 |
| Molar Mass | 136.15 |
| Density | 1.162 g/mL at 25 °C (lit.) |
| Melting Point | 30-34 °C (lit.) |
| Boling Point | 115-118 °C/16 mmHg (lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.0714mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.162 |
| Color | Clear yellow to brown |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Refractive Index | 1.53-1.532 |
| Physical and Chemical Properties | WGK Germany:3 |
16806-93-2 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29143900 |
16806-93-2 - Reference Information
| Application | 6, 7-dihydro-4 (5H)-benzofuranone is an important pharmaceutical intermediate, which can be prepared by the reaction of 1, 3-cyclohexanedione and chloroacetaldehyde aqueous solution, which can be used to synthesize 5-acetyl -6, 7-dihydro-4 (5H)-benzofuranone. |
| preparation | 6,7-dihydro-4 (5H)-benzofuranone synthesis: 1,3-cyclohexanedione (10.0g,89.18mmol) is added to a 250mL round bottom flask, dissolved in 60mL of water, 35mL of 20% sodium hydroxide solution is added under ice bath, and then KI(2.9g,17.4mmol) is added, finally, 16mL of 40% chloroacetaldehyde aqueous solution was slowly added dropwise, and the reaction was carried out at room temperature. After 12 hours, TLC detection showed that the raw materials basically reacted completely. Add 37.5% concentrated hydrochloric acid with mass fraction to adjust to PH = 4, add 100mL of water, extract with petroleum ether (100mL × 4), combine organic phase, wash with saturated salt water (100mL × 3), finally dry with anhydrous sodium sulfate, and evaporate the solvent to obtain light yellow liquid 7, I .e. 6,7-dihydro-4 (5H)-benzofuranone 10.0g, with a yield of 82%. |
Last Update：2024-04-10 22:29:15
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