2-Benzyl-2-methyl-malonic acid diethyl ester

Base Information

• Chemical Name: 2-Benzyl-2-methyl-malonic acid diethyl ester
• CAS No.: 55114-30-2
• Molecular Formula: C15H20O4
• Molecular Weight: 264.321
• European Community (EC) Number: 684-383-5
• DSSTox Substance ID: DTXSID20391508
• Nikkaji Number: J1.971.566C
• Wikidata: Q82189007
• Mol file: 55114-30-2.mol

Synonyms:55114-30-2;2-BENZYL-2-METHYL-MALONIC ACID DIETHYL ESTER;SCHEMBL8710582;Propanedioic acid, methyl(phenylmethyl)-, diethyl ester;DTXSID20391508;XVKFESUTLASBKM-UHFFFAOYSA-N;Diethyl 2-benzyl-2-methylmalonate;Benzylmethylmalonic acid diethyl ester;AKOS024322904

Chemical Property of 2-Benzyl-2-methyl-malonic acid diethyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 2.36160
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzyl-2-methyl-malonic acid diethyl ester

There total 20 articles about 2-Benzyl-2-methyl-malonic acid diethyl ester 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: 99.0%

diethyl 2-benzylmalonate (607-81-8) + methyl iodide (74-88-4) → 2-benzyl-2-methylmalonic acid diethyl ester (55114-30-2)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 0 - 14 ℃; for 3.33333h;

DOI:10.1016/j.tet.2009.02.076

Reference yield: 99.0%

trimethylsulfoxonium iodide (1774-47-6) + diethyl 2-benzylmalonate (607-81-8) → 2-benzyl-2-methylmalonic acid diethyl ester (55114-30-2)

Guidance literature:

diethyl 2-benzylmalonate; With sodium hydride; In tetrahydrofuran; mineral oil; at 25 ℃; for 0.5h; Sealed tube;

trimethylsulfoxonium iodide; In dimethyl sulfoxide; for 8h; Reagent/catalyst; Sealed tube; Reflux;

DOI:10.1021/acs.orglett.8b03641

Reference yield: 98.0%

benzyl bromide (100-39-0) + Diethyl methylmalonate (609-08-5) → 2-benzyl-2-methylmalonic acid diethyl ester (55114-30-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1016/j.bmc.2003.08.017

upstream raw materials:

sodium diethyl methylmalonate

benzyl chloride

Diethyl methylmalonate

diethyl 2-(2-iodobenzyl)-2-methylmalonate

Downstream raw materials:

2-benzyl-3-ethoxy-2-methyl-3-oxopropanoic acid

2-benzyl-2-methylmalonic acid

2-benzyl-2-methyl-1,3-propanediol

(+/-)-2-Deuterio-2-methyl-3-phenyl-propansaeure