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28578-16-7

28578-16-7 Structure

28578-16-7 Structure
IdentificationBack Directory
[Name]

2-Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-2-Methyl-, ethyl ester
[CAS]

28578-16-7
[Synonyms]

PMK BMK
new p 28578-16-7
BMK CAS 28578-16-7
PMK ethyl glycidate
3,4-MDP-2P ethyl ester
3,4-MDP-2-P intermediate
cheap 3,4-MDP-2P ethyl ester
3-(1,3-benzodioxol-5-yl)-2-Methyl-
3-(1,3-benzod.../3,4-MDP-2-P intermediate
Pharmaceutical intermediates 2-Oxiranecarboxylicacid
ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate
Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylate
ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-methyloxirane-2-carboxylate
2-Oxiranecarboxylicacid, 3-(1,3-benzod.../3,4-MDP-2-P intermediate
Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate Liquid
2-Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-2-Methyl-, ethyl ester
[EINECS(EC#)]

234-232-0
[Molecular Formula]

C13H14O5
[MDL Number]

MFCD30478653
[MOL File]

28578-16-7.mol
[Molecular Weight]

250.25
Chemical PropertiesBack Directory
[Boiling point ]

327.8±42.0 °C(Predicted)
[density ]

1.302±0.06 g/cm3(Predicted)
[solubility ]

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
[InChIKey]

BRILFEZHPXQINW-UHFFFAOYSA-N
[SMILES]

O1C(C2=CC=C3OCOC3=C2)C1(C)C(OCC)=O
Hazard InformationBack Directory
[Description]

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.
[Uses]

NSC 195099 can be used as an analytical reference standard.
[Application]

PMK methyl glycidate is applied as immediate precursors of 3,4-methylenedioxymethamphetamine. 
[Synthesis]

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.
synthetic step of PMK ethyl glycidateFig The synthetic step of PMK ethyl glycidate
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