Tetraethyl 1,1,5,5-pentanetetracarboxylate

Base Information

• Chemical Name: Tetraethyl 1,1,5,5-pentanetetracarboxylate
• CAS No.: 3779-30-4
• Molecular Formula: C17H28O8
• Molecular Weight: 360.405
• Hs Code.: 2917190090
• NSC Number: 669653,67407
• DSSTox Substance ID: DTXSID60290223
• Nikkaji Number: J129.584E
• Wikidata: Q82027837
• Mol file: 3779-30-4.mol

Synonyms:Tetraethyl 1,1,5,5-pentanetetracarboxylate;3779-30-4;NSC 67407;NSC669653;1,1,5,5-Pentanetetracarboxylic acid, tetraethyl ester;tetraethyl pentane-1,1,5,5-tetracarboxylate;NSC67407;NCIOpen2_008378;SCHEMBL7659602;1,3-Bis(diethylmalonyl)propane;DTXSID60290223;NSC-67407;NSC-669653;Tetraethyl 1,1,5,5-pentanetetracarboxylate #;1,5,5-Pentanetetracarboxylic acid, tetraethyl ester;1,1,5,5-Pentanetetracarboxylic acid tetraethyl ester

Chemical Property of Tetraethyl 1,1,5,5-pentanetetracarboxylate

Chemical Property:

• Vapor Pressure: 2.24E-06mmHg at 25°C
• Boiling Point: 392.7°Cat760mmHg
• Flash Point: 166.5°C
• PSA: 105.20000
• Density: 1.112g/cm³
• LogP: 1.64150
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 360.17841785
• Heavy Atom Count: 25
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tetraethyl 1,1,5,5-pentanetetracarboxylate

There total 1 articles about Tetraethyl 1,1,5,5-pentanetetracarboxylate 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: 24.0%

1,3-dibromo-propane (109-64-8) + diethyl malonate (105-53-3) → pentane-1,1,5,5-tetracarboxylic acid tetraethyl ester (3779-30-4) + diethyl cyclobutane-1,1-dicarboxylate (3779-29-1)

Guidance literature:

With sodium; In ethanol; at 80 ℃;

Reference yield:

pentane-1,1,5,5-tetracarboxylic acid tetraethyl ester (3779-30-4) → diethyl pimelate (2050-20-6)

Guidance literature:

With potassium hydroxide; Erhitzen des nach dem Ansaeuern erhaltenen Reaktionsprodukts;

DOI:10.1021/ja01578a048

Reference yield:

pentane-1,1,5,5-tetracarboxylic acid tetraethyl ester (3779-30-4) + sodium ethanolate (141-52-6) → diethyl 2-oxocyclohexane-1,3-dicarboxylate (68327-30-0) + ethyl 2-oxocyclohexane carboxylate (1655-07-8)

Guidance literature:

upstream raw materials:

1,3-dibromo-propane

diethyl malonate

Downstream raw materials:

diethyl 2-oxocyclohexane-1,3-dicarboxylate

ethyl 2-oxocyclohexane carboxylate

diethyl pimelate

2-methyleneheptanedioic acid