Diethyl dibenzylpropanedioate

Base Information

• Chemical Name: Diethyl dibenzylpropanedioate
• CAS No.: 597-55-7
• Molecular Formula: C21H24 O4
• Molecular Weight: 340.419
• NSC Number: 8726
• DSSTox Substance ID: DTXSID20278643
• Nikkaji Number: J79.691C
• Wikidata: Q82010674
• Mol file: 597-55-7.mol

Synonyms:diethyl dibenzylpropanedioate;597-55-7;diethyl 2,2-dibenzylpropanedioate;DIETHYL DIBENZYLMALONATE;diethyl 2,2-dibenzylmalonate;NSC8726;SCHEMBL4419400;DTXSID20278643;Dibenzylmalonic acid diethyl ester;NSC-8726;1,3-diethyl 2,2-dibenzylpropanedioate;EN300-22934479;propanedioic acid, 2,2-bis(phenylmethyl)-, diethyl ester

Chemical Property of Diethyl dibenzylpropanedioate

Chemical Property:

• Vapor Pressure: 5.78E-08mmHg at 25°C
• Melting Point: 14°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 440.7 °C at 760 mmHg
• Flash Point: 214.1 °C
• PSA: 52.60000
• Density: 1.114 g/cm³
• LogP: 3.58440
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 340.16745924
• Heavy Atom Count: 25
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL DIBENZYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)OCC

Technology Process of Diethyl dibenzylpropanedioate

There total 19 articles about Diethyl dibenzylpropanedioate 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: 100.0%

benzyl chloride (100-44-7) + diethyl malonate (105-53-3) → dibenzylmalonic acid diethyl ester (597-55-7)

Guidance literature:

With sodium ethanolate; In ethanol; at 0 - 20 ℃; for 16h;

DOI:10.1002/ejoc.201600235

Reference yield: 99.0%

benzyl bromide (100-39-0) + diethyl malonate (105-53-3) → dibenzylmalonic acid diethyl ester (597-55-7)

Guidance literature:

With sodium hydroxide; PEG-supported tetrakis ammonium salt; In dichloromethane; at 25 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(02)00475-6

Reference yield: 70.0%

benzyl bromide (100-39-0) + diethyl malonate (105-53-3) → dibenzylmalonic acid diethyl ester (597-55-7) + diethyl 2-benzylmalonate (607-81-8)

Guidance literature:

diethyl malonate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

benzyl bromide; In tetrahydrofuran; for 16h; Inert atmosphere; Reflux;

DOI:10.1021/ja4050168

upstream raw materials:

sodium diethylmalonate

benzyl chloride

ethanol

sodium diethyl-2-phenylmalonate

Downstream raw materials:

4,4-dibenzyl-isoxazolidine-3,5-dione

Dibenzylmalonsaeure-monoaethylester

bis-(4-nitro-benzyl)-malonic acid diethyl ester

2-(Benzyl)malonoamide