2-Ethylpentanedioic acid

Base Information

• Chemical Name: 2-Ethylpentanedioic acid
• CAS No.: 617-26-5
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• NSC Number: 157556
• DSSTox Substance ID: DTXSID10303256
• Nikkaji Number: J134.750K
• Wikidata: Q27162100
• Mol file: 617-26-5.mol

Synonyms:2-ethylglutaric acid;617-26-5;2-ethylpentanedioic acid;NSC-157556;NSC157556;SCHEMBL1722576;CHEBI:89916;DTXSID10303256;Q27162100

Chemical Property of 2-Ethylpentanedioic acid

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Boiling Point: 309.2°Cat760mmHg
• Flash Point: 155°C
• Density: 1.197g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethylpentanedioic acid

There total 2 articles about 2-Ethylpentanedioic 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:

1,3-pentanediol (3174-67-2) → 2-ethyl glutaric acid (617-26-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen bromide / 110 °C

2: aqueous ethanol

3: aqueous NaOH-solution

With sodium hydroxide; ethanol; hydrogen bromide;

Reference yield:

diethyl 2-ethyl glutarate (1891-98-1) → ethanol (64-17-5) + 2-ethyl glutaric acid (617-26-5) + α-Aethylglutarsaeure-monoaethylester (32809-56-6) + 2-Ethyl-pentanedioic acid 5-ethyl ester

Guidance literature:

With Horse Liver Esterase as Acetonic Powder; In water; Product distribution; other enzyme (PPL), enzymatic discrimination of esters;

Reference yield:

2-ethyl glutaric acid (617-26-5) + iodine (7553-56-2,12190-71-5,8031-47-8) → hexan-4-olide (695-06-7)

Guidance literature:

beim Erhitzen des Silbersalzes;

upstream raw materials:

diethyl 2-ethyl glutarate

1,3-pentanediol

Downstream raw materials:

hexan-4-olide