Dimethyl methyloxosuccinate

Base Information

• Chemical Name: Dimethyl methyloxosuccinate
• CAS No.: 63921-06-2
• Molecular Formula: C7H10 O5
• Molecular Weight: 174.153
• Hs Code.: 2918300090
• European Community (EC) Number: 264-564-1
• DSSTox Substance ID: DTXSID10981154
• Nikkaji Number: J286.592K
• Mol file: 63921-06-2.mol

Synonyms:63921-06-2;Dimethyl methyloxosuccinate;dimethyl 2-methyl-3-oxosuccinate;EINECS 264-564-1;1,4-DIMETHYL 2-METHYL-3-OXOBUTANEDIOATE;dimethyl 2-methyl-3-oxobutanedioate;SCHEMBL5143818;DTXSID10981154;AC9470;MFCD18976650;AKOS017920926;SY254097;2-Methyl-3-oxobutanedioic acid dimethyl ester;1,4-DIMETHYL2-METHYL-3-OXOBUTANEDIOATE;EN300-1126778

Chemical Property of Dimethyl methyloxosuccinate

Chemical Property:

• Vapor Pressure: 0.0713mmHg at 25°C
• Boiling Point: 229°Cat760mmHg
• PKA: 9.20±0.46(Predicted)
• Flash Point: 93.4°C
• PSA: 69.67000
• Density: 1.172g/cm³
• LogP: -0.46240
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 174.05282342
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

Dimethylmethyloxosuccinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C(=O)OC)C(=O)OC

Technology Process of Dimethyl methyloxosuccinate

There total 5 articles about Dimethyl methyloxosuccinate 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: 75.0%

Dimethyl oxalate (553-90-2) + propanoic acid methyl ester (554-12-1) → 3-methyl-2-oxo-butane-1,4-dioic acid dimethyl ester (63921-06-2)

Guidance literature:

Reference yield:

methanol (67-56-1) + methyl 2,4-dioxo-3-diazopentanoate (98268-20-3) → 3-methyl-2-oxo-butane-1,4-dioic acid dimethyl ester (63921-06-2)

Guidance literature:

In benzene; for 6h; Irradiation;

DOI:10.1021/jo00222a047

Reference yield:

Dimethyl oxalate (553-90-2) → 3-methyl-2-oxo-butane-1,4-dioic acid dimethyl ester (63921-06-2)

Guidance literature:

With diethyl ether; sodium methylate; Anschliessendes Behandeln mit Methylpropionat_.;

upstream raw materials:

Dimethyl oxalate

propanoic acid methyl ester

methanol

methyl 2,4-dioxo-3-diazopentanoate

Downstream raw materials:

methyl-malonic acid dimethylester

2-Methylpropanedioic Acid Ethyl Methyl Ester

Diethyl methylmalonate

erythro-2-hydroxy-3-methylbutane-1,4-dioic acid

Refernces

• 1、 Titus, Richard L.,Emerson, David W.,Gonzales, Rowena M.. "Synthesis of the (Z) and (E) Isomers of 1,2-Diaryl-3-methyl-4,5-dioxo-3-pyrrolidinecarboxylic Acid Esters. Structural Assignment by NMR and Mass Spectroscopy". . p. 1857 - 1860. Retrieved 2007/10/02.
• 2、 Gallucci, Robert R.,Jones, Maitland. "Photolysis of Methyl 3-Diazo-2-oxopropionate Wolff Migration of the Carbomethoxy Group". . p. 4404 - 4405. Retrieved 2007/10/02.