Propanedioic acid, ethylphenyl-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, ethylphenyl-, dimethyl ester
• CAS No.: 88253-95-6
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• DSSTox Substance ID: DTXSID30453080
• Wikidata: Q82274068
• Mol file: 88253-95-6.mol

Synonyms:Propanedioic acid, ethylphenyl-, dimethyl ester;88253-95-6;SCHEMBL16732336;DTXSID30453080

Chemical Property of Propanedioic acid, ethylphenyl-, dimethyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)(C(=O)OC)C(=O)OC

Technology Process of Propanedioic acid, ethylphenyl-, dimethyl ester

There total 5 articles about Propanedioic acid, ethylphenyl-, dimethyl 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:

methyl chloroformate (79-22-1) → dimethyl 2-ethyl-2-phenylmalonate (88253-95-6)

Guidance literature:

With diethyl ether;

Reference yield:

ethyl iodide (75-03-6) → dimethyl 2-ethyl-2-phenylmalonate (88253-95-6)

Guidance literature:

Reference yield:

methanol (67-56-1) + (ethyl)phenylmalonic acid (1636-25-5) → monomethyl ethylphenylmalonate (108516-37-6) + dimethyl 2-ethyl-2-phenylmalonate (88253-95-6)

Guidance literature:

With thionyl chloride; magnesium sulfate; at 50 ℃; for 10h; Yield given. Yields of byproduct given;

DOI:10.1016/0957-4166(96)00122-X

upstream raw materials:

methanol

(ethyl)phenylmalonic acid

methyl chloroformate

ethyl iodide

Downstream raw materials:

phenobarbital

(R)-2-Ethyl-2-phenyl-malonic acid monomethyl ester

methyl 2-phenylbutanoate

(S)-(-)-2-hydroxymethyl-2-phenylbutyric acid