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| | 2',3',4'-Trimethoxyacetophenone Basic information |
| Product Name: | 2',3',4'-Trimethoxyacetophenone | | Synonyms: | 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-4-quinolinamine;1-(2,3,4-Trimethoxyphenyl)ethanone;Ethanone, 1-(2,3,4-trimethoxyphenyl)-;TIMTEC-BB SBB008574;2,3,4-TRIMETHOXYACETOPHENONE;2-3-4-trimethxoyacetophenone;2',3',4'-Trimethoxyacetophenone 2,3,4-Tromethoxyacetophenone;2',3',4'-Trimethoxyacetophenone 97% | | CAS: | 13909-73-4 | | MF: | C11H14O4 | | MW: | 210.23 | | EINECS: | 237-678-4 | | Product Categories: | Building Blocks;C11 to C12;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Aromatic Acetophenones & Derivatives (substituted);C11 to C12;Carbonyl Compounds;Ketones | | Mol File: | 13909-73-4.mol |  |
| | 2',3',4'-Trimethoxyacetophenone Chemical Properties |
| Melting point | 14-15 °C(lit.) | | Boiling point | 295-297 °C(lit.) | | density | 1.155 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.5384(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | InChI | 1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3 | | InChIKey | PKNAATJMQOUREZ-UHFFFAOYSA-N | | SMILES | COc1ccc(C(C)=O)c(OC)c1OC | | LogP | 1.630 | | CAS DataBase Reference | 13909-73-4(CAS DataBase Reference) | | EPA Substance Registry System | 2',3',4'-Trimethoxyacetophenone (13909-73-4) |
| Hazard Codes | Xi | | Safety Statements | 24/25 | | WGK Germany | 3 | | RTECS | AN0531000 | | Hazard Note | Irritant | | HS Code | 29145000 | | Storage Class | 10 - Combustible liquids |
| | 2',3',4'-Trimethoxyacetophenone Usage And Synthesis |
| Chemical Properties | clear yellow liquid | | Uses | 2',3',4'-Trimethoxyacetophenone is an organic compound with a benzene ring and an acetyl group. 2',3',4'-Trimethoxyacetophenone can be used as a raw material for synthesizing dyes, fragrances, and certain pesticides[1]. | | Preparation | Obtained by reaction of dimethyl sulfate with gallacetophenone in methanol in the presence of potassium hydroxide. | | General Description | 2′,3′,4′-Trimethoxyacetophenone on reaction with BCl3 gives the corresponding 2,3-dihydroxy-4-methoxy compounds. | | Synthesis | To a solution of 2',3',4'-trihydroxyacetophenone (1.66 g, 10 mmol) in acetone (50 mL) was added potassium carbonate (11 g) and dimethyl sulfate (6 mL, 30 mmol). The reaction was stirred at 45 °C for 17 h. The reaction was terminated by the addition of water. The reaction mixture was filtered, neutralized with 1 M HCl and then extracted with dichloromethane (200 mL). The organic layer was washed with brine (150 mL) and the crude product was purified by silica gel column chromatography (petroleum ether/ethyl acetate, 5:1). Yield: 1.85 g (88%).1H NMR (CDCl3, 300 MHz) δ 7.50 (d, J = 8.8 Hz, 1H), 6.68 (d, J = 8.8 Hz, 1H), 3.94 (s, 3H), 3.89 (s, 3H), 3.85 (s, 3H), 2.58 (s, 3H) ppm.13C NMR ( CDCl3, 75 MHz) δ 198.01, 157.44, 154.30, 128.99, 125.78, 125.57, 106.99, 61.30, 60.80, 56.06, 30.97 ppm. Pharm. Bull. 1984, 32, 3354-3360. | | References | [1] Lenz G R, et al. Synthesis of the novel isoquinoline enamide alkaloid polycarpine[J]. Journal of Heterocyclic Chemistry, 1981, 18(4): 691-693. |
| | 2',3',4'-Trimethoxyacetophenone Preparation Products And Raw materials |
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