Diethyl [2-(3,4-dimethoxyphenyl)ethyl]propanedioate

Base Information

• Chemical Name: Diethyl [2-(3,4-dimethoxyphenyl)ethyl]propanedioate
• CAS No.: 21610-38-8
• Molecular Formula: C17H24O6
• Molecular Weight: 324.374
• DSSTox Substance ID: DTXSID80554132
• Wikidata: Q82434985
• Mol file: 21610-38-8.mol

Synonyms:21610-38-8;Diethyl [2-(3,4-dimethoxyphenyl)ethyl]propanedioate;DTXSID80554132

Chemical Property of Diethyl [2-(3,4-dimethoxyphenyl)ethyl]propanedioate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 324.15728848
• Heavy Atom Count: 23
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCC1=CC(=C(C=C1)OC)OC)C(=O)OCC

Technology Process of Diethyl [2-(3,4-dimethoxyphenyl)ethyl]propanedioate

There total 2 articles about Diethyl [2-(3,4-dimethoxyphenyl)ethyl]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:

3,4-dimethoxyphenethyl bromide (40173-90-8) + sodium diethylmalonate (996-82-7) → Diethyl <2-(3,4-dimethoxyphenyl)ethyl>malonate (21610-38-8)

Guidance literature:

With ethanol;

Reference yield:

→ Diethyl <2-(3,4-dimethoxyphenyl)ethyl>malonate (21610-38-8)

Guidance literature:

Malonsaeurediaethylester, 3,4-Dimethoxyphenaethylbromid;

Reference yield: 78.0%

Diethyl <2-(3,4-dimethoxyphenyl)ethyl>malonate (21610-38-8) + (R)-(E)-2-Bromovinyl p-tolyl sulfoxide (112373-73-6) → (R)-(E)-Diethyl 2-<2-(3,4-dimethoxyphenyl)ethyl>-2-<2-(p-toluenesulfinyl)vinyl>malonate (112373-84-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; 1.) r.t., 1 h, 2.) r.t., 12 h;

DOI:10.1021/jo00090a042

upstream raw materials:

3,4-dimethoxyphenethyl bromide

sodium diethylmalonate

Downstream raw materials:

(R)-(E)-Diethyl 2-<2-(3,4-dimethoxyphenyl)ethyl>-2-<2-(p-toluenesulfinyl)vinyl>malonate

2-((2R,3R)-4,4-Dichloro-5-oxo-2-p-tolylsulfanyl-tetrahydro-furan-3-yl)-2-[2-(3,4-dimethoxy-phenyl)-ethyl]-malonic acid diethyl ester

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