2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르

2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르
2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르 구조식 이미지
카스 번호:
28578-16-7
한글명:
2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르
동의어(한글):
2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르
상품명:
PMK ethyl glycidate
동의어(영문):
GLYCIDATE;ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate;Pmk Glycidate Oil;3,4-MDP-2-P intermediate;ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-methyloxirane-2-carboxylate;2-Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-2-Methyl-, ethyl ester;cheap 3,4-MDP-2P ethyl ester;3-(1,3-benzodioxol-5-yl)-2-Methyl-;PMK BMK;New PMK
CBNumber:
CB22731285
분자식:
C13H14O5
포뮬러 무게:
250.25
MOL 파일:
28578-16-7.mol

2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르 속성

끓는 점
327.8±42.0 °C(Predicted)
밀도
1.302±0.06 g/cm3(Predicted)
용해도
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

안전

2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르 C화학적 특성, 용도, 생산

개요

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.

용도

NSC 195099 can be used as an analytical reference standard.

주요 응용

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

2-옥시란카르복실산,3-(1,3-벤조디옥솔-5-일)-2-메틸-,에틸에스테르 준비 용품 및 원자재

원자재

준비 용품


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