2-оксиранкарбоновая кислота, 3-(1,3-бензодиоксол-5-ил)-2-метил-, этиловый эфир
- английское имяPMK ethyl glycidate
- CAS №28578-16-7
- CBNumberCB22731285
- ФормулаC13H14O5
- мольный вес250.25
- EINECS234-232-0
- номер MDLMFCD30478653
- файл Mol28578-16-7.mol
химическое свойство
| Температура кипения | 327.8±42.0 °C(Predicted) |
| плотность | 1.302±0.06 g/cm3(Predicted) |
| растворимость | DMF: 15 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml; PBS (pH 7.2): 1 mg/ml |
| InChI | InChI=1S/C13H14O5/c1-3-15-12(14)13(2)11(18-13)8-4-5-9-10(6-8)17-7-16-9/h4-6,11H,3,7H2,1-2H3 |
| ИнЧИКей | BRILFEZHPXQINW-UHFFFAOYSA-N |
| SMILES | O1C(C2=CC=C3OCOC3=C2)C1(C)C(OCC)=O |
2-оксиранкарбоновая кислота, 3-(1,3-бензодиоксол-5-ил)-2-метил-, этиловый эфир химические свойства, назначение, производство
Описание
PMK ethyl glycidate is an analytical reference standard categorized as a precursor in the synthesis of methylenedioxy phenethylamines and amphetamines, including 3,4-MDMA. This product is intended for research and forensic applications.Использование
NSC 195099 can be used as an analytical reference standard.прикладной
PMK methyl glycidate is applied as immediate precursors of 3,4-methylenedioxymethamphetamine.Синтез
To a solution of piperonal (1, 3.00 g, 19.9 mmol) in CH2Cl2 (100 mL) was added (carbethoxyethylidene)triphenylphosphorane (2,14.5 g, 40.0 mmol), and the reaction mixture was stirred for 24 h at room temperature. The mixture was then concentrated at reduced pressure, and the residue was purified by flash column chromatography on silica gel (hexanes/EtOAc,10:1) to afford olefin 3 (4.45 g, 95%) as a colorless oil: 1H NMR (400 MHz, CDCl3) d 7.58 (s, 1H), 6.92 (d, J = 1.7 Hz, 1H), 6.90 (dd, J = 7.9, 1.7 Hz, 1H), 6.82 (d, J = 8.0 Hz, 1H), 5.97 (s, 2H), 4.24 (q, J = 7.1 Hz, 2H), 2.10 (d, J = 1.6 Hz, 3H),1.33 (t, J = 7.1 Hz, 3H); 13C NMR (100 MHz, CDCl3) d 168.7,147.6, 138.3, 129.9, 126.9, 124.6, 109.5, 108.2, 101.2, 60.7, 14.3,1 4.0; IR (ATR, cm-1): 2981, 2902,1698, 1628, 1502, 1489,1442, 1258, 1224; HRMS (EI) m/z calcd for C13H14O4 (M+) 234.0892, found 234.0895.
Fig The synthetic step of PMK ethyl glycidate