Diethyl octadecylpropanedioate

Base Information

• Chemical Name: Diethyl octadecylpropanedioate
• CAS No.: 7154-71-4
• Molecular Formula: C25H48O4
• Molecular Weight: 412.6462
• NSC Number: 73734
• DSSTox Substance ID: DTXSID50291183
• Wikidata: Q82029054
• Mol file: 7154-71-4.mol

Synonyms:7154-71-4;NSC 73734;diethyl octadecylpropanedioate;NSC73734;n-octadecyl-diethyl malonate;SCHEMBL5849644;DTXSID50291183;NSC-73734

Chemical Property of Diethyl octadecylpropanedioate

Chemical Property:

• Vapor Pressure: 2.12E-07mmHg at 25°C
• Boiling Point: 424.1°Cat760mmHg
• Flash Point: 189.1°C
• Density: 0.919g/cm³
• XLogP3: 10.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 412.35526001
• Heavy Atom Count: 29
• Complexity: 363

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl octadecylpropanedioate

There total 3 articles about Diethyl octadecylpropanedioate 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: 88.0%

→ Diethyl β-octadecylmalonate (7154-71-4)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 60 ℃; for 6h;

Reference yield: 50.0%

1-Bromooctadecane (112-89-0) + diethyl malonate (105-53-3) → Diethyl β-octadecylmalonate (7154-71-4)

Guidance literature:

diethyl malonate; With sodium ethanolate; In ethanol; for 1.5h; Heating;

1-Bromooctadecane; In ethanol; for 3h; Heating;

DOI:10.1021/jp991347v

Reference yield:

n-iodooctadecane (629-93-6) + sodium diethylmalonate (996-82-7) → Diethyl β-octadecylmalonate (7154-71-4)

Guidance literature:

With butan-1-ol;

DOI:10.1021/ja01856a037

upstream raw materials:

n-iodooctadecane

sodium diethylmalonate

1-Bromooctadecane

diethyl malonate

Downstream raw materials:

4-octadecyl-1,2-diphenyl-pyrazolidine-3,5-dione

2-octadecyl-propane-1,3-diol

Refernces

• 1、 Hasegawa, Takeshi,Hatada, Yuko,Nishijo, Jujiro,Umemura, Junzo,Huo, Qun,Leblanc, Roger M.. "Hydrogen bonding network formed between accumulated Langmuir-Blodgett films of barbituric acid and triaminotriazine derivatives". . p. 7505 - 7513. Retrieved 1999.
• 2、 Marmillon, Christelle,Bompart, Jacques,Calas, Michèle,Escale, Roger,Bonnet, Pierre-Antoine. "Solution parallel synthesis of cyclic guanidines". . p. 1317 - 1328. Retrieved 2007/10/03.