Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester
• CAS No.: 20452-51-1
• Molecular Formula: C16H22 O6
• Molecular Weight: 310.347
• European Community (EC) Number: 243-833-7
• UNII: GH4YXU4V9Y
• DSSTox Substance ID: DTXSID0066616
• Nikkaji Number: J280.599E
• Wikidata: Q81993193
• Mol file: 20452-51-1.mol

Synonyms:20452-51-1;diethyl 2,5-dimethoxybenzylmalonate;GH4YXU4V9Y;Diethyl (2,5-dimethoxybenzyl)malonate;Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester;EINECS 243-833-7;Propanedioic acid, ((2,5-dimethoxyphenyl)methyl)-, diethyl ester;Propanedioic acid, 2-((2,5-dimethoxyphenyl)methyl)-, 1,3-diethyl ester;diethyl(2,5-dimethoxybenzyl)malonate;UNII-GH4YXU4V9Y;SCHEMBL490808;DTXSID0066616;[(2,5-Dimethoxyphenyl)methyl]malonic acid diethyl ester;1,3-DIETHYL 2-((2,5-DIMETHOXYPHENYL)METHYL)PROPANEDIOATE

Chemical Property of Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester

Chemical Property:

• Vapor Pressure: 1.65E-06mmHg at 25°C
• Boiling Point: 396.9°Cat760mmHg
• Flash Point: 172.2°C
• PSA: 71.06000
• Density: 1.121g/cm³
• LogP: 1.98870
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 310.14163842
• Heavy Atom Count: 22
• Complexity: 339

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(CC1=C(C=CC(=C1)OC)OC)C(=O)OCC

Technology Process of Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester

There total 1 articles about Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, 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:

2,5-dimethoxybenzaldehyde (93-02-7) + diethyl malonate (105-53-3) → diethyl 2,5-dimethoxybenzylmalonate (20452-51-1)

Guidance literature:

With piperidine; katalytische Hydrierung des Reaktionsprodukts;

DOI:10.1021/ja01858a047

Reference yield: 43.0%

diethyl 2,5-dimethoxybenzylmalonate (20452-51-1) → 2,5-dimethoxybenzylmalonic acid (72018-08-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 80 ℃; for 2h;

DOI:10.1016/j.ejmech.2004.09.001

upstream raw materials:

2,5-dimethoxybenzaldehyde

diethyl malonate

Downstream raw materials:

2,5-dimethoxybenzylmalonic acid