Diethyl 2-oxo-3-propylsuccinate

Base Information

• Chemical Name: Diethyl 2-oxo-3-propylsuccinate
• CAS No.: 26103-78-6
• Molecular Formula: C11H18O5
• Molecular Weight: 230.261
• NSC Number: 71391
• DSSTox Substance ID: DTXSID30290836
• Mol file: 26103-78-6.mol

Synonyms:Diethyl 2-oxo-3-propylsuccinate;26103-78-6;diethyl 2-oxo-3-propylbutanedioate;NSC71391;NCIOpen2_004685;Diethyl2-oxo-3-propylsuccinate;SCHEMBL4773196;DTXSID30290836;FQQZGZZZSPUFKV-UHFFFAOYSA-N;MFCD00032383;NSC-71391;AKOS024261360;DS-8666;2-oxo-3-propyl-succinic acid diethyl ester;CS-0152456;F31211;A877370;Butanedioic acid, 2-oxo-3-propyl-, 1,4-diethyl ester

Chemical Property of Diethyl 2-oxo-3-propylsuccinate

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• Boiling Point: 299.9°Cat760mmHg
• Flash Point: 127.5°C
• PSA: 69.67000
• Density: 1.073g/cm³
• LogP: 1.09800
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 230.11542367
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Diethyl2-oxo-3-propylsuccinate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)C(=O)OCC)C(=O)OCC

Technology Process of Diethyl 2-oxo-3-propylsuccinate

There total 2 articles about Diethyl 2-oxo-3-propylsuccinate 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:

ethyl n-valerate (539-82-2) + oxalic acid diethyl ester (95-92-1) → propyl-oxalacetic acid diethyl ester (26103-78-6)

Guidance literature:

With sodium methylate; benzene; Kochen;

DOI:10.1021/ja01181a601

Reference yield:

→ propyl-oxalacetic acid diethyl ester (26103-78-6)

Guidance literature:

Ethylvalerat, Diethyloxalat, NaOEt;

Reference yield:

propyl-oxalacetic acid diethyl ester (26103-78-6) → ethyl 2-oxohexanoate (5753-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / 6 h / Heating

2: p-toluenesulfonic acid, triethanolamine / toluene / 6 h / Heating

With hydrogenchloride; triethanolamine; toluene-4-sulfonic acid; In toluene;

DOI:10.1021/jo00246a035

upstream raw materials:

ethyl n-valerate

oxalic acid diethyl ester

Downstream raw materials:

2-(2,4-dinitro-phenylhydrazono)-3-propyl-succinic acid diethyl ester

diethyl propylmalonate

ethyl 2-oxohexanoate

Refernces

• 1、 -. "4-Imidazol-1-ylmethyl pyrimidine derivatives". Page 18. . Retrieved 2010/02/07.