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| | 6-Acetyl-1,4-benzodioxane Basic information |
| | 6-Acetyl-1,4-benzodioxane Chemical Properties |
| Melting point | 80-82 °C (lit.) | | Boiling point | 270.41°C (rough estimate) | | density | 1.1601 (rough estimate) | | refractive index | 1.5370 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) | | form | Fine Crystalline Needles | | color | Almost white to slightly blue | | BRN | 164125 | | InChI | 1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3 | | InChIKey | HGVWMTAIIYNQSI-UHFFFAOYSA-N | | SMILES | CC(=O)c1ccc2OCCOc2c1 | | CAS DataBase Reference | 2879-20-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Safety Statements | 24/25-25-24 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29145090 | | Storage Class | 11 - Combustible Solids |
| | 6-Acetyl-1,4-benzodioxane Usage And Synthesis |
| Chemical Properties | ALMOST WHITE TO SLIGHTLY BLUE FINE CRYST. NEEDLES | | Uses | 1,4-Benzodioxan-6-yl methyl ketone may be used in the preparation of acetylenic alcohols. | | Definition | ChEBI: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-one is a benzodioxine. | | Synthesis | GENERAL METHODS: Method B: To a stirred solution of 1-(2,3-dihydrobenzo[B][1,4]dioxin-6-yl)ethan-1-ol (4a, 1.65 g, 9.94 mmol) in anhydrous dichloromethane (100 mL) was added Dess-Martin's reagent (5.06 g, 11.93 mmol) at 0 °C and under argon protection. After 10 minutes of reaction, the mixture was slowly warmed to room temperature and stirring was continued for 16 hours. After completion of the reaction, the reaction was quenched with saturated sodium bicarbonate solution and filtered to remove the insoluble salt. The filtrate was extracted with dichloromethane, the combined organic layers were dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. Finally, the target product 6-acetyl-1,4-benzodioxane (5a, 1.42 g, 87% yield) was purified by silica gel column chromatography with dichloromethane as eluent to give a light yellow solid. | | References | [1] European Journal of Medicinal Chemistry, 2015, vol. 105, p. 80 - 105 |
| | 6-Acetyl-1,4-benzodioxane Preparation Products And Raw materials |
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