Diethyl dioctylmalonate

Base Information

• Chemical Name: Diethyl dioctylmalonate
• CAS No.: 24251-93-2
• Molecular Formula: C23H44O4
• Molecular Weight: 384.6
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID20514891
• Wikidata: Q82375457
• Mol file: 24251-93-2.mol

Synonyms:DIETHYL DIOCTYLMALONATE;24251-93-2;diethyl 2,2-dioctylpropanedioate;diethyl 2,2-dioctylmalonate;DIETHYLDIOCTYLMALONATE;Diethyl dioctylpropanedioate;SCHEMBL183166;DTXSID20514891;GUYMNPYVUJHUIV-UHFFFAOYSA-N

Chemical Property of Diethyl dioctylmalonate

Chemical Property:

• PSA: 52.60000
• LogP: 6.60020
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 384.32395988
• Heavy Atom Count: 27
• Complexity: 343

Purity/Quality:

95% ^*data from raw suppliers

DIETHYL DIOCTYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CCCCCCCC)(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl dioctylmalonate

There total 7 articles about Diethyl dioctylmalonate 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: 86.0%

1-bromo-octane (111-83-1) + diethyl malonate (105-53-3) → 2,2-dioctylmalonic acid diethyl ester (24251-93-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; for 78h; Reflux;

Reference yield: 45.0%

1-bromo-octane (111-83-1) + diethyl malonate (105-53-3) → diethyl octylmalonate (1472-85-1) + 2,2-dioctylmalonic acid diethyl ester (24251-93-2)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1021/jo001620l

Reference yield:

1-bromo-octane (111-83-1) + diethyl octylmalonate (1472-85-1) → 2,2-dioctylmalonic acid diethyl ester (24251-93-2)

Guidance literature:

diethyl octylmalonate; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 4h;

1-bromo-octane; In tetrahydrofuran; for 20h; Heating / reflux;

upstream raw materials:

1-bromo-octane

diethyl malonate

1-Iodooctane

diethyl octylmalonate

Downstream raw materials:

2-octyl-1-decanol

diethyl N-benzyl-3,4-(2,2-dioctyl-1,3-propylenedioxy)pyrrole-2,5-dicarboxylate

2-octyldecanoic acid