Diethyl 2-(3,4-dichlorophenyl)malonate

Base Information

• Chemical Name: Diethyl 2-(3,4-dichlorophenyl)malonate
• CAS No.: 28751-26-0
• Molecular Formula: C13H14 Cl2 O4
• Molecular Weight: 305.158
• Hs Code.: 2917399090
• European Community (EC) Number: 681-715-0
• DSSTox Substance ID: DTXSID30425126
• Wikidata: Q82237882
• Mol file: 28751-26-0.mol

Synonyms:28751-26-0;diethyl 2-(3,4-dichlorophenyl)malonate;Diethyl (3,4-Dichlorophenyl)Malonate;diethyl 2-(3,4-dichlorophenyl)propanedioate;Propanedioic acid, 2-(3,4-dichlorophenyl)-, 1,3-diethyl ester;Diethyl2-(3,4-dichlorophenyl)malonate;Maybridge1_008739;HMS566F05;DTXSID30425126;AKOS011827715;AS-71277;CS-0361266;Diethyl (3,4-dichlorophenyl)malonate, 95%;FT-0638805;1,3-diethyl 2-(3,4-dichlorophenyl)propanedioate;A819579;Propanedioic acid,2-(3,4-dichlorophenyl)-,1,3-diethyl ester

Chemical Property of Diethyl 2-(3,4-dichlorophenyl)malonate

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Refractive Index: 1.5105
• Boiling Point: 359.1°Cat760mmHg
• Flash Point: 133.8°C
• PSA: 52.60000
• Density: 1.29g/cm³
• LogP: 3.20320
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 304.0269143
• Heavy Atom Count: 19
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

Diethyl (3,4-dichlorophenyl)malonate, 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2-(3,4-dichlorophenyl)malonate

There total 3 articles about Diethyl 2-(3,4-dichlorophenyl)malonate 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: 100.0%

ethyl 3,4-dichlorophenylacetate (6725-45-7) + Diethyl carbonate (105-58-8,76619-83-5) → diethyl (3,4-dichlorophenyl)propanedioate (28751-26-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; for 2h; Reflux;

DOI:10.1016/j.bmc.2016.05.040

Reference yield:

ethyl 3,4-dichlorophenylacetate (6725-45-7) + oxalic acid diethyl ester (95-92-1) → diethyl (3,4-dichlorophenyl)propanedioate (28751-26-0)

Guidance literature:

With sodium hydride; In benzene;

Reference yield:

→ diethyl (3,4-dichlorophenyl)propanedioate (28751-26-0)

Guidance literature:

Ethyl 3,4-dichlorphenylacetat, Diethylcarbonat;

upstream raw materials:

ethyl 3,4-dichlorophenylacetate

oxalic acid diethyl ester

Diethyl carbonate

Downstream raw materials:

(3,4-Dichlor-phenyl)-fluor-malonsaeure-diaethylester

α-(3,4-Dichlorophenyl)-α-fluoressigsaeure

(3,4-Dichlor-phenyl)-fluor-malonsaeure

3,4-Dichlor-α-fluor-phenylessigsaeure-aethylester