Diethyl dichloromaleate

Base Information

• Chemical Name: Diethyl dichloromaleate
• CAS No.: 15649-41-9
• Molecular Formula: C8H10 Cl2 O4
• Molecular Weight: 241.071
• Nikkaji Number: J873.358I
• NSC Number: 124615
• Mol file: 15649-41-9.mol

Synonyms:diethyl dichloromaleate;15649-41-9;SCHEMBL9572183;RJQUCHQZARJING-WAYWQWQTSA-N;NSC124615;NSC-124615

Chemical Property of Diethyl dichloromaleate

Chemical Property:

• Vapor Pressure: 0.00261mmHg at 25°C
• Boiling Point: 286.6°Cat760mmHg
• Flash Point: 114.5°C
• Density: 1.313g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 239.9956142
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C(C(=O)OCC)Cl)Cl
• Isomeric SMILES: CCOC(=O)/C(=C(\C(=O)OCC)/Cl)/Cl

Technology Process of Diethyl dichloromaleate

There total 3 articles about Diethyl dichloromaleate 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: 61.0%

diethyl 2-oxo-3-triphenylphosphoranylidenebutanedioate (29393-95-1) → diethyl (Z)-2,3-dichlorobutenedioate (15649-41-9)

Guidance literature:

With potassium acetate; chlorine; In chloroform; for 0.0833333h; Ambient temperature;

Reference yield:

Ethyl trichloroacetate (515-84-4) → tetrachloro-succinic acid diethyl ester (3875-96-5) + diethyl (Z)-2,3-dichlorobutenedioate (15649-41-9) + diethyl 2,3-dichlorofumarate (15649-40-8) + ethyl 1,1-dichloroacetate (535-15-9)

Guidance literature:

With iron(II) chloride; In acetonitrile; at 25 - 82 ℃; Rate constant; Thermodynamic data; Product distribution; ΔH(excit.), ΔS(excit.), var. reagent conc., var. reaction time;

Reference yield:

→ diethyl (Z)-2,3-dichlorobutenedioate (15649-41-9)

Guidance literature:

Ethyl-diazoacetat, CuCl, Acetonitril (neben anderen Verb.);

DOI:10.1246/bcsj.42.3535

upstream raw materials:

Ethyl trichloroacetate

diethyl 2-oxo-3-triphenylphosphoranylidenebutanedioate

Downstream raw materials:

diethyl 5-ethyl-2,3-pyridinedicarboxylate