Diethyl 3-phenylpropylmalonate

Base Information

• Chemical Name: Diethyl 3-phenylpropylmalonate
• CAS No.: 26395-09-5
• Molecular Formula: C16H22O4
• Molecular Weight: 278.348
• DSSTox Substance ID: DTXSID201262439
• Nikkaji Number: J566.415B
• Mol file: 26395-09-5.mol

Synonyms:Diethyl 3-phenylpropylmalonate;SCHEMBL6714506;diethyl (3-phenylpropyl)malonate;IRRMRULGUABRDC-UHFFFAOYSA-N;DTXSID201262439;diethyl 2-(3-phenylpropyl)malonate;AKOS018015507;3-Phenylpropylmalonic acid diethyl ester;1,3-Diethyl 2-(3-phenylpropyl)propanedioate;26395-09-5

Chemical Property of Diethyl 3-phenylpropylmalonate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(CCCC1=CC=CC=C1)C(=O)OCC

Technology Process of Diethyl 3-phenylpropylmalonate

There total 10 articles about Diethyl 3-phenylpropylmalonate 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%

diethyl (E)-cinnamyl malonate (63082-55-3) → diethyl 2-(3-phenylpropyl)malonate (26395-09-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 15h;

DOI:10.1016/j.tetasy.2005.10.015

Reference yield: 97.0%

1-Bromo-3-phenylpropane (637-59-2) + diethyl malonate (105-53-3) → diethyl 2-(3-phenylpropyl)malonate (26395-09-5)

Guidance literature:

In N-methyl-acetamide;

Reference yield: 88.0%

2-(3-phenylpropylidene)malonic acid diethyl ester (103766-22-9) → diethyl 2-(3-phenylpropyl)malonate (26395-09-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tris(pentafluorophenyl)borate; hydrogen; In toluene; at 80 ℃; for 24h; under 45004.5 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/anie.201205348

upstream raw materials:

1-Bromo-3-phenylpropane

sodium diethylmalonate

diethyl malonate

diethyl (E)-cinnamyl malonate

Downstream raw materials:

butyl-(3-phenyl-propyl)-malonic acid diethyl ester

3-phenylpropylmalonic acid

ethyl-(3-phenyl-propyl)-malonic acid diethyl ester

4-(3-phenyl-propyl)-isoxazolidine-3,5-dione