Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate
• CAS No.: 28578-16-7
• Molecular Formula: C13H14 O5
• Molecular Weight: 250.251
• NSC Number: 195099
• DSSTox Substance ID: DTXSID60307820
• Mol file: 28578-16-7.mol

Synonyms:28578-16-7;ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate;2-Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, ethyl ester;2-Oxiranecarboxylic acid, 3-(1,3-benzodioxol-5-yl)-2-methyl-, ethyl ester;Ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate;PMK ethyl glycidate;NSC195099;DTXSID60307820;NSC-195099;s11346

Chemical Property of Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000198mmHg at 25°C
• Boiling Point: 327.8°C at 760 mmHg
• Flash Point: 143°C
• PSA: 57.29000
• Density: 1.302g/cm³
• LogP: 1.80840
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

98% ^*data from raw suppliers

NSC195099 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(C(O1)C2=CC3=C(C=C2)OCO3)C
• 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.

Technology Process of Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate

There total 2 articles about Ethyl 3-(1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

piperonal (120-57-0,30024-74-9) + 2-chloro-propanoic acid, ethyl ester (535-13-7) → 3-benzo[1,3]dioxol-5-yl-2-methyl-oxiranecarboxylic acid ethyl ester (28578-16-7)

Guidance literature:

With sodium ethanolate;

Reference yield:

piperonal (120-57-0,30024-74-9) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 3-benzo[1,3]dioxol-5-yl-2-methyl-oxiranecarboxylic acid ethyl ester (28578-16-7)

Guidance literature:

With sodium ethanolate;

DOI:10.1039/jr9430000015

Reference yield:

3-benzo[1,3]dioxol-5-yl-2-methyl-oxiranecarboxylic acid ethyl ester (28578-16-7) + furan-2,3,5(4H)-trione pyridine (1:1) → 1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5)

Guidance literature:

Behandeln mit Wasser;

upstream raw materials:

piperonal

2-chloro-propanoic acid, ethyl ester

Ethyl 2-bromopropionate

Downstream raw materials:

1-(1,3-benzodioxol-5-yl)-2-propanone