Diethyl 2-oxo-3-(2-oxopropyl)butanedioate

Base Information

• Chemical Name: Diethyl 2-oxo-3-(2-oxopropyl)butanedioate
• CAS No.: 68384-85-0
• Molecular Formula: C₁₁H₁₆O₆
• Molecular Weight: 244.244
• NSC Number: 90980
• DSSTox Substance ID: DTXSID00293612
• Mol file: 68384-85-0.mol

Synonyms:68384-85-0;diethyl 2-oxo-3-(2-oxopropyl)butanedioate;NSC90980;NCIOpen2_005759;DTXSID00293612;NSC-90980

Chemical Property of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate

Chemical Property:

• Vapor Pressure: 2.74E-05mmHg at 25°C
• Boiling Point: 357.4°Cat760mmHg
• Flash Point: 157.4°C
• Density: 1.153g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 244.09468823
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC(=O)C)C(=O)C(=O)OCC

Technology Process of Diethyl 2-oxo-3-(2-oxopropyl)butanedioate

There total 2 articles about Diethyl 2-oxo-3-(2-oxopropyl)butanedioate 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:

oxalic acid diethyl ester (95-92-1) → acetonyl-oxalacetic acid diethyl ester (68384-85-0)

Guidance literature:

With diethyl ether; sodium ethanolate;

DOI:10.1021/ja01620a031

Reference yield:

ethyl 4,4-diethoxypentanoate (92557-39-6) + oxalic acid diethyl ester (95-92-1) → acetonyl-oxalacetic acid diethyl ester (68384-85-0)

Guidance literature:

With diethyl ether; sodium ethanolate;

DOI:10.1021/ja01620a031

Reference yield:

acetonyl-oxalacetic acid diethyl ester (68384-85-0) → 5-methyl-1-phenyl-pyrrole-2,3-dicarboxylic acid

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Erwaermen des Reaktionsprodukts mit konz. H₂SO₄ auf 50grad

2: aq.-ethanolic NaOH

With sodium hydroxide; diethyl ether;

DOI:10.1021/ja01620a031

upstream raw materials:

ethyl 4,4-diethoxypentanoate

oxalic acid diethyl ester

Downstream raw materials:

5-methylthiophene-2,3-dicarboxylic acid

diethyl 5-methylpyrrole-2,3-dicarboxylate

5-methyl-1-phenyl-pyrrole-2,3-dicarboxylic acid diethyl ester

ethyl 5-methyl-1H-pyrrole-3-carboxylate