Tetraethyl butane-1,1,3,4-tetracarboxylate

Base Information

• Chemical Name: Tetraethyl butane-1,1,3,4-tetracarboxylate
• CAS No.: 89317-80-6
• Molecular Formula: C16H26O8
• DSSTox Substance ID: DTXSID00526730
• Mol file: 89317-80-6.mol

Synonyms:89317-80-6;Tetraethyl butane-1,1,3,4-tetracarboxylate;DTXSID00526730

Chemical Property of Tetraethyl butane-1,1,3,4-tetracarboxylate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 346.16276778
• Heavy Atom Count: 24
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tetraethyl butane-1,1,3,4-tetracarboxylate

There total 5 articles about Tetraethyl butane-1,1,3,4-tetracarboxylate 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:

ethanol (64-17-5) + diethyl citraconate (691-83-8) + sodium ethanolate (141-52-6) + diethyl malonate (105-53-3) → diethylitaconate (2409-52-1) + butane-1,1,2,3-tetracarboxylic acid tetraethyl ester (7500-72-3) + diethyl 2,4-bis(ethoxycarbonyl)adipate (89317-80-6) + (E)-2-methyl-but-2-enedioic acid diethyl ester (2418-31-7)

Guidance literature:

at 80 ℃; Prod_.5:Cyclopentanon-⁽³⁾-tricarbonsaeure-(1.2.4)-triaethylester,Prod_.6:Cyclopentanon-⁽¹⁾-dicarbonsaeure-(2.3 oder 2.4)-diaethylester usw.;

Reference yield:

diethyl citraconate (691-83-8) + diethyl malonate (105-53-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → diethylitaconate (2409-52-1) + butane-1,1,2,3-tetracarboxylic acid tetraethyl ester (7500-72-3) + diethyl 2,4-bis(ethoxycarbonyl)adipate (89317-80-6) + (E)-2-methyl-but-2-enedioic acid diethyl ester (2418-31-7)

Guidance literature:

Prod_.5:Cyclopentanon-⁽³⁾-tricarbonsaeure-(1.2.4)-triaethylester,Prod_.6:Cyclopentanon-⁽¹⁾-dicarbonsaeure-(2.3 oder 2.4)-diaethylester usw.;

Reference yield:

diethyl citraconate (691-83-8) + sodium diethylmalonate (996-82-7) → butane-1,1,2,3-tetracarboxylic acid tetraethyl ester (7500-72-3) + diethyl 2,4-bis(ethoxycarbonyl)adipate (89317-80-6)

Guidance literature:

With benzene;

upstream raw materials:

diethyl citraconate

sodium diethylmalonate

ethanol

sodium ethanolate

Downstream raw materials:

3-Oxo-cyclopentanecarboxylic acid