2,4-Diethylglutaric Acid

Base Information

• Chemical Name: 2,4-Diethylglutaric Acid
• CAS No.: 27899-21-4
• Molecular Formula: C9H16 O4
• Molecular Weight: 188.22
• European Community (EC) Number: 680-176-9
• DSSTox Substance ID: DTXSID40468983
• Nikkaji Number: J127.668I
• Mol file: 27899-21-4.mol

Synonyms:2,4-Diethylglutaric Acid;27899-21-4;2,4-diethylpentanedioic Acid;MFCD04117827;2,4-diethylpentanedioicAcid;SCHEMBL751062;2, 4-diethylpentanedioic acid;DTXSID40468983;CEAKZVDHZILFGK-UHFFFAOYSA-N;CBA89921;SY054881;CS-0336067;D3234;FT-0691421;T70708;Ethyl2-(piperazin-1-yl)pyrimidine-5-carboxylate

Chemical Property of 2,4-Diethylglutaric Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 326.197°C at 760 mmHg
• PKA: 4.31±0.26(Predicted)
• Flash Point: 165.289°C
• PSA: 74.60000
• Density: 1.126g/cm³
• LogP: 1.59810
• Solubility.: soluble in Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

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

2,4-Diethylglutaric Acid (DL- and meso- mixture) >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Diethylglutaric Acid

There total 16 articles about 2,4-Diethylglutaric Acid 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: 94.0%

2,4-diethyl-1,5-pentanediol (57987-55-0) → 2,4-diethylglutaric acid (27899-21-4)

Guidance literature:

With C₂₄H₃₃IrN₄O₃; water; sodium hydroxide; for 18h; Reflux;

DOI:10.1002/cssc.202001052

Reference yield: 79.1%

dipotassium 2,4-diethylglutarate → 2,4-diethylglutaric acid (27899-21-4)

Guidance literature:

With sulfuric acid;

Reference yield:

Propane-1,1,3,3-tetracarboxylic acid tetramethyl ester (28781-92-2) → 2,4-diethylglutaric acid (27899-21-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaOMe / methanol / 0.5 h / 20 °C

1.2: 61 percent / methanol / 8 h / Heating

2.1: H₂SO₄ / H₂O / 72 h / Heating

With sulfuric acid; sodium methylate; In methanol; water;

DOI:10.1016/j.tet.2006.11.033

upstream raw materials:

2,4-diethyl-1,5-pentanediol

ethyl iodide

tetramethyl heptane-3,3,5,5-tetracarboxylate

Propane-1,1,3,3-tetracarboxylic acid tetramethyl ester

Downstream raw materials:

2,4-diethyl-1,5-pentanediol

(+/-)-erythro-2,4-diethyl-N-(4-chloro-phenyl)-glutaramic acid

Refernces

• 1、 Fujita, Ken-ichi,Toyooka, Genki. "Synthesis of Dicarboxylic Acids from Aqueous Solutions of Diols with Hydrogen Evolution Catalyzed by an Iridium Complex". . . Retrieved 2020/07/13.
• 2、 -. "OILY INGREDIENT FOR COSMETIC PREPARATION AND COSMETIC PREPARATION". Page/Page column 7-8. . Retrieved 2008/06/13.