|
|
| | 3,4-Methylenedioxyacetophenone Basic information |
| Product Name: | 3,4-Methylenedioxyacetophenone | | Synonyms: | 1-(1,3-Benzodioxol-5-yl)ethanone;3,4-Methylen-dioxy-acetophenon;Methyl (1,3-benzodioxole-5-yl) ketone;Moskachan A;3,4-Methylenedioxyacetophenone,98%;3,4-Methylenedioxyac;3,4-Methylenedioxyacetophenone, 98% 5GR;3',4'-(Methylenedioxy)acetophenone 98% | | CAS: | 3162-29-6 | | MF: | C9H8O3 | | MW: | 164.16 | | EINECS: | 221-613-1 | | Product Categories: | Adehydes, Acetals & Ketones;C9;Carbonyl Compounds;Ketones;Aromatic Acetophenones & Derivatives (substituted) | | Mol File: | 3162-29-6.mol |  |
| | 3,4-Methylenedioxyacetophenone Chemical Properties |
| Melting point | 87-89 °C(lit.) | | Boiling point | 152-155°C 15mm | | density | 1.2132 (rough estimate) | | refractive index | 1.5260 (estimate) | | Fp | 152-155°C/15mm | | storage temp. | Inert atmosphere,Room Temperature | | form | Crystalline Powder | | color | Beige | | Odor | Heavy, sweet-floral and warm-herbaceous odor | | Water Solubility | Slightly soluble in water. | | BRN | 139669 | | InChI | InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3 | | InChIKey | BMHMKWXYXFBWMI-UHFFFAOYSA-N | | SMILES | C(=O)(C1=CC=C2OCOC2=C1)C | | CAS DataBase Reference | 3162-29-6(CAS DataBase Reference) | | NIST Chemistry Reference | 3',4'-(Methylenedioxy)acetophenone(3162-29-6) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 37/39-26-36-24/25 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29329990 | | Storage Class | 11 - Combustible Solids |
| | 3,4-Methylenedioxyacetophenone Usage And Synthesis |
| Chemical Properties |
Colorless or white crystals. M.P. 89℃. Almost insoluble in water, soluble in alcohol and oils.
| | Uses | 3,4-(Methylenedioxy)acetophenone is used in the synthesis of N-ethyl-1-(3,4-methylenedioxyphenyl)ethylamine. | | Uses | 3′,4′-(Methylenedioxy)acetophenone was used in the synthesis of N-ethyl-1-(3,4-methylenedioxyphenyl)ethylamine. | | Definition | ChEBI: 3,4-Methylenedioxyacetophenone is a member of benzodioxoles. | | Synthesis Reference(s) | Journal of the American Chemical Society, 79, p. 4507, 1957 DOI: 10.1021/ja01573a069 | | Synthesis | 3,4-Methylenedioxyacetophenone's synthesis method: 1) from Piperonylic acid plus Acetic acid vapors at high temperature over catalyst (Thoria, e.g.). 2) from alpha-Methylpiperonylic acid by oxidation.
| | References | [1] Synthesis, 1980, # 9, p. 691 - 694
[2] European Journal of Medicinal Chemistry, 2015, vol. 105, p. 80 - 105
[3] Synthetic Communications, 2014, vol. 44, # 14, p. 2076 - 2087
[4] Tetrahedron Letters, 2000, vol. 41, # 42, p. 8131 - 8135
[5] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 11, p. 4775 - 4782 |
| | 3,4-Methylenedioxyacetophenone Preparation Products And Raw materials |
| Raw materials | Ethanone,1-(6-bromo-1,3-benzodioxol-5-yl)--->1-(1,3-BENZODIOXOL-5-YL)-2-BROMOETHAN-1-ONE-->N-Methoxy-N-Methylbenzo[d][1,3]dioxole-5-carboxaMide-->1-BENZO[1,3]DIOXOL-5-YL-ETHYLAMINE-->ISOSAFROLE-->Piperonyl acetone-->Diethyl ether-->Piperonyl aldehyde-->1,3-Benzodioxole-->Methylmagnesium Bromide | | Preparation Products | CEPHALOTAXINE-->4-BENZO[1,3]DIOXOL-5-YL-2,4-DIOXO-BUTYRIC ACID METHYL ESTER-->1-Benzo[1,3]dioxol-5-yl-3-(4-dimethylamino-phenyl)-propenone-->2-Oxazolecarboxylic acid, 5-(1,3-benzodioxol-5-yl)-, ethyl ester |
|