Triethyl butane-1,2,4-tricarboxylate

Base Information

• Chemical Name: Triethyl butane-1,2,4-tricarboxylate
• CAS No.: 1188-35-8
• Molecular Formula: C13H22 O6
• Molecular Weight: 274.314
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID30565293
• Mol file: 1188-35-8.mol

Synonyms:Triethyl butane-1,2,4-tricarboxylate;1188-35-8;Diethyl 3-(ethoxycarbonyl)hexanediate;1,2,4-TRIETHYL BUTANE-1,2,4-TRICARBOXYLATE;MFCD28155103;triethyl 1,2,4-butanetricarboxylate;SCHEMBL712102;DTXSID30565293;CKNUUYLRWBMMIE-UHFFFAOYSA-N;AKOS027425186;AS-63293;SY109087;CS-0442202;3-ethoxycarbonylhexanedioic acid diethyl ester

Chemical Property of Triethyl butane-1,2,4-tricarboxylate

Chemical Property:

• PSA: 78.90000
• LogP: 1.46220
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 274.14163842
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

TriethylButane-1,2,4-tricarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Triethyl butane-1,2,4-tricarboxylate

There total 16 articles about Triethyl butane-1,2,4-tricarboxylate 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: 100.0%

ethanol (64-17-5) + butane-1,2,4-tricarboxylic acid (923-42-2) → 3-ethoxycarbonylhexane-1,6-dioic acid diethyl ester (1188-35-8)

Guidance literature:

With sulfuric acid; for 24h; Heating / reflux;

Reference yield: 85.0%

butane-1,2,2,4-tetracarboxylic acid tetraethyl ester (70600-48-5) → 3-ethoxycarbonylhexane-1,6-dioic acid diethyl ester (1188-35-8)

Guidance literature:

With water; sodium chloride; In dimethyl sulfoxide; at 185 - 190 ℃; for 5.5h;

DOI:10.1007/BF00961357

Reference yield:

ethanol (64-17-5) + butane-1,2,4-tricarbonitrile (5238-65-3) → 3-ethoxycarbonylhexane-1,6-dioic acid diethyl ester (1188-35-8)

Guidance literature:

With sulfuric acid; at 135 ℃;

upstream raw materials:

ethanol

butane-1,2,4-tricarbonitrile

butane-1,2,4-tricarboxylic acid

4-cyano-butane-1,2,2-tricarboxylic acid triethyl ester

Downstream raw materials:

2-methyl-3-oxo-cyclopentanecarboxylic acid

Refernces

• 1、 -. "SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE". Page/Page column 24; 25. . Retrieved 2016/05/02.
• 2、 Sizov, A. Yu.,Dombrovskii, V. A.,Yanovskaya, L. A.. "SYNTHESIS OF POLYFUNCTIONAL ALIPHATIC CARBONYL COMPOUNDS UNDER PHASE-TRANSFER CONDITIONS". . p. 955 - 961. Retrieved 2007/10/02.