Diethyl (2-phenylpropan-2-yl)propanedioate

Base Information

• Chemical Name: Diethyl (2-phenylpropan-2-yl)propanedioate
• CAS No.: 78775-63-0
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.348
• NSC Number: 171241
• DSSTox Substance ID: DTXSID80305606
• Nikkaji Number: J2.719.919D
• Wikidata: Q82052295

Synonyms:78775-63-0;NSC171241;SCHEMBL7207416;DTXSID80305606;SRIDQAOHTPULGP-UHFFFAOYSA-N;NSC-171241;Diethyl(alpha,alpha-dimethylbenzyl)malonate;Diethyl (2-phenylpropan-2-yl)propanedioate;Diethyl (alpha,alpha-dimethylbenzyl)malonate;Diethyl (alpha, alpha-dimethylbenzyl)malonate;Diethyl (alpha, alpha -dimethylbenzyl)malonate

Chemical Property of Diethyl (2-phenylpropan-2-yl)propanedioate

Chemical Property:

• Vapor Pressure: 5.92E-05mmHg at 25°C
• Boiling Point: 346°C at 760 mmHg
• Flash Point: 162.4°C
• Density: 1.06g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl (2-phenylpropan-2-yl)propanedioate

There total 7 articles about Diethyl (2-phenylpropan-2-yl)propanedioate 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: 89.0%

diethyl isopropylidenemalonate (6802-75-1) + phenylmagnesium bromide → diethyl α-(1-methyl-1-phenylethyl)malonate (78775-63-0)

Guidance literature:

With copper(l) chloride; In diethyl ether; for 0.5h; Heating;

Reference yield: 87.0%

diethyl isopropylidenemalonate (6802-75-1) + phenylmanganese(II) chloride (71478-47-2) → diethyl α-(1-methyl-1-phenylethyl)malonate (78775-63-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.15227/orgsyn.072.0135

Reference yield: 28.0%

diethyl isopropylidenemalonate (6802-75-1) + phenylmagnesium bromide (100-58-3) → diethyl α-(1-methyl-1-phenylethyl)malonate (78775-63-0)

Guidance literature:

In tetrahydrofuran; diethyl ether; 1.) 0 deg C, 30 min, 2.) reflux, 1 h;

upstream raw materials:

diethyl isopropylidenemalonate

diethyl ether

benzene

phenylmanganese(II) chloride

Downstream raw materials:

3-methyl-3-phenylbutanoic acid

4-(1-methyl-1-phenyl-ethyl)-2-phenyl-isoxazolidine-3,5-dione

2-(1-Methyl-1-phenyl-ethyl)-propane-1,3-diol

1,1,3-trimethyl-3-phenylindane

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