Butanedioic acid, ethyl methyl ester

Base Information

• Chemical Name: Butanedioic acid, ethyl methyl ester
• CAS No.: 627-73-6
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• Hs Code.: 2917190090
• European Community (EC) Number: 613-081-8
• DSSTox Substance ID: DTXSID7074327
• Nikkaji Number: J47.455J
• Wikidata: Q63408769
• Mol file: 627-73-6.mol

Synonyms:Butanedioic acid, ethyl methyl ester;627-73-6;4-O-ethyl 1-O-methyl butanedioate;Succinic acid 1-ethyl 4-methyl ester;ethyl methyl succinate;methyl ethyl succinate;Ethyl methyl_succinate;ethyl methyl butanedioate;Butanedioic acid, 1-ethyl 4-methyl ester;Ethyl methyl ester of butanedioic acid;1-Ethyl 4-methyl succinate #;SCHEMBL1981808;DTXSID7074327;CHEBI:173693;Butandioic acid ethyl methyl ester;AKOS018719670;AS-76808;D93546;Q63408769

Chemical Property of Butanedioic acid, ethyl methyl ester

Chemical Property:

• Vapor Pressure: 0.216mmHg at 25°C
• Melting Point: <-20 °C
• Refractive Index: 1.4200 (estimate)
• Boiling Point: 208.2°C at 760 mmHg
• Flash Point: 93.8°C
• PSA: 52.60000
• Density: 1.06g/cm³
• LogP: 0.50270
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)OC

Technology Process of Butanedioic acid, ethyl methyl ester

There total 3 articles about Butanedioic acid, ethyl methyl 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:

ethanol (64-17-5) + dimethylfumarate (624-49-7) → succinic acid ethyl ester methyl ester (627-73-6) + Dimethyl succinate (106-65-0)

Guidance literature:

With hydrogen; In water; at 23 ℃; under 760.051 Torr; Overall yield = 100 %Chromat.; chemoselective reaction;

DOI:10.1134/S1070363218020032

Reference yield:

succinic acid (110-15-6) + 1-butyl-3-methylimidazolium tetrachloridoferrate(III) (359845-21-9) → succinic acid ethyl ester methyl ester (627-73-6) + succinic acid diethyl ester (123-25-1) + Dimethyl succinate (106-65-0)

Guidance literature:

With carbon dioxide; at 150 ℃; for 18h; under 120012 Torr; Green chemistry;

DOI:10.1039/c7gc00952f

Reference yield:

succinic acid (110-15-6) + 1-ethyl-3-methyl-1H-imidazol-3-ium dimethyl phosphate (945611-27-8) → N-methylsuccinimide (1121-07-9) + N-ethylsuccinimide (2314-78-5) + succinic acid ethyl ester methyl ester (627-73-6) + succinic acid diethyl ester (123-25-1)

Guidance literature:

With carbon dioxide; at 150 ℃; for 18h; under 120012 Torr; Green chemistry;

DOI:10.1039/c7gc00952f

upstream raw materials:

succinic acid

1-ethyl-3-methyl-1H-imidazol-3-ium dimethyl phosphate

1-butyl-3-methylimidazolium tetrachloridoferrate(III)

ethanol