Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate

Base Information

• Chemical Name: Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate
• CAS No.: 557795-97-8
• Molecular Formula: C19H21NO6
• Molecular Weight: 359.37
• DSSTox Substance ID: DTXSID30514488
• Nikkaji Number: J2.304.010G
• Wikidata: Q82374848
• Mol file: 557795-97-8.mol

Synonyms:557795-97-8;Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate;diethyl 6-benzyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylate;Diethyl 6-benzyl-2,3-dihydro-6H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylate;DIETHYL 1-BENZYL-3,4-ETHYLENEDIOXYPYRRO&;SCHEMBL2931696;DTXSID30514488;DNSUDLABFAFLEM-UHFFFAOYSA-N;Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate, 95%;6-benzyl-2, 3-dihydro-6H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylic acid diethyl ester;6-benzyl-2,3-dihydro-6H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylic acid diethyl ester

Chemical Property of Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.77E-10mmHg at 25°C
• Melting Point: 92-110 °C(lit.)
• Refractive Index: 1.574
• Boiling Point: 509°C at 760 mmHg
• Flash Point: 261.6°C
• PSA: 75.99000
• Density: 1.27g/cm³
• LogP: 2.66100
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 359.13688739
• Heavy Atom Count: 26
• Complexity: 458

Purity/Quality:

98%min ^*data from raw suppliers

DIETHYL 1-BENZYL-3,4-ETHYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C(=C(N1CC3=CC=CC=C3)C(=O)OCC)OCCO2

Technology Process of Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate

There total 2 articles about Diethyl 1-benzyl-3,4-ethylenedioxypyrrole-2,5-dicarboxylate 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: 95.0%

ethylene glycol (107-21-1) + diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate (376395-32-3) → 6-benzyl-2,3-dihydro-6H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylic acid diethyl ester (557795-97-8)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 48h; Heating;

DOI:10.1016/j.tetlet.2006.03.086

Reference yield:

diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate (376395-32-3) → 6-benzyl-2,3-dihydro-6H-[1,4]dioxino[2,3-c]pyrrole-5,7-dicarboxylic acid diethyl ester (557795-97-8)

Guidance literature:

In tetrahydrofuran; ethylene glycol;

upstream raw materials:

ethylene glycol

diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate