Diethyl Icosanedioate

Base Information

• Chemical Name: Diethyl Icosanedioate
• CAS No.: 42235-39-2
• Molecular Formula: C₂₄H₄₆O₄
• Molecular Weight: 398.627
• DSSTox Substance ID: DTXSID10407889
• Nikkaji Number: J278.448C
• Wikidata: Q82213233
• Mol file: 42235-39-2.mol

Synonyms:Diethyl Icosanedioate;Eicosanedioic acid diethyl ester;42235-39-2;SCHEMBL495925;DTXSID10407889;Eicosanedioic acid, diethyl ester;ZNDDDTDMKPWMKU-UHFFFAOYSA-N;MFCD04038604;Eicosanedioic acid, 1,20-diethyl ester

Chemical Property of Diethyl Icosanedioate

Chemical Property:

• Vapor Pressure: 2.82E-07mmHg at 25°C
• Melting Point: 54.5°C
• Refractive Index: 1.4460 (estimate)
• Boiling Point: 441.76°C (rough estimate)
• Density: 0.9658 (rough estimate)
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 398.33960994
• Heavy Atom Count: 28
• Complexity: 321

Purity/Quality:

98.5% ^*data from raw suppliers

EICOSANEDIOIC ACID DIETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCCCCCCCCCCCC(=O)OCC

Technology Process of Diethyl Icosanedioate

There total 1 articles about Diethyl Icosanedioate 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: 98.0%

ethanol (64-17-5) + octadecane-1,18-dicarboxylic acid (2424-92-2) → eicosanedioic acid diethyl ester (42235-39-2)

Guidance literature:

for 2h; Reflux; Acidic conditions;

DOI:10.1039/c0ob00683a

Reference yield: 63.0%

eicosanedioic acid diethyl ester (42235-39-2) + phenylmagnesium bromide (100-58-3) → C44H58O2 (1282454-32-3)

Guidance literature:

In diethyl ether; for 2h; Reflux;

DOI:10.1039/c0ob00683a

Reference yield:

eicosanedioic acid diethyl ester (42235-39-2) → C70H88O12 (1282453-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 2 h / Reflux

2: acetic acid / 2 h / Reflux; Acidic conditions

3: manganese triacetate / acetic acid / 1.5 h / Inert atmosphere; Sonication

With manganese triacetate; acetic acid; In diethyl ether; acetic acid; 1: Grignard reaction;

DOI:10.1039/c0ob00683a

upstream raw materials:

ethanol

octadecane-1,18-dicarboxylic acid

Downstream raw materials:

1,1,20,20-tetraphenyl-1,19-icosanediene

C₆₂H₇₂O₈

C₆₆H₈₀O₁₀

C₇₀H₈₈O₁₂

Refernces