Mesoxalic acid

Base Information

• Chemical Name: Mesoxalic acid
• CAS No.: 473-90-5
• Molecular Formula: C3H2O5
• Molecular Weight: 118.046
• Hs Code.: 2918300090
• European Community (EC) Number: 207-473-4
• UNII: 62R514HE48
• DSSTox Substance ID: DTXSID3021649
• Nikkaji Number: J5.957I
• Wikipedia: Mesoxalic_acid
• Wikidata: Q2823289
• Metabolomics Workbench ID: 44924
• Mol file: 473-90-5.mol

Synonyms:alpha-ketomalonic acid;ketomalonate;ketomalonic acid;mesoxalic acid;oxomalonic acid

Chemical Property of Mesoxalic acid

Chemical Property:

• Vapor Pressure: 1.06E-07mmHg at 25°C
• Melting Point: 178 °C
• Refractive Index: 1.504
• Boiling Point: 405.2 °C at 760 mmHg
• PKA: 1.15±0.54(Predicted)
• Flash Point: 213 °C
• PSA: 91.67000
• Density: 1.832 g/cm³
• LogP: -1.27530
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 117.99022316
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

2-Oxopropanedioic acid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Mesoxalic acid

There total 81 articles about Mesoxalic acid 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-benzylidenemalonic acid (584-45-2) + ethyl acetate (141-78-6) → acetonedicarboxylic acid (473-90-5) + benzaldehyde (100-52-7) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

at -20 ℃; bei der Ozonisierung nachfolgend Spaltung mit Wasser;

Reference yield:

(β-bromo-cinnamylidene)-malonic acid dimethyl ester → acetonedicarboxylic acid (473-90-5) + oxalic acid (144-62-7,97993-78-7) + benzaldehyde (100-52-7)

Guidance literature:

Behandeln mit Ozon in Essigester und Zersetzen des erhaltenen Ozonids;

Reference yield:

4-methoxy-2,5-dioxo-imidazolidine-4-carboxylic acid amide (861361-90-2) → methanol (67-56-1) + acetonedicarboxylic acid (473-90-5) + ammonia (7664-41-7) + urea (57-13-6)

Guidance literature:

upstream raw materials:

1,3-dihydroxyacetone dimer

tartronic acid

pyrimidine-2,4,5,6(1H,3H)-tetraone

2-aminomalonic acid

Downstream raw materials:

(2,5-dimethyl-phenyl)-hydroxy-malonic acid diethyl ester

3,4-Dihydro-3-oxo-2-quinoxalinecarboxylic acid

tartronic acid

oxalic acid

Refernces

• 1、 Evans,Mong,Sinks. "". . p. 1724. Retrieved 1917.
• 2、 Habibi, Biuck,Delnavaz, Nasrin. "Electrooxidation of glycerol on nickel and nickel alloy (Ni-Cu and Ni-Co) nanoparticles in alkaline media". . p. 31797 - 31806. Retrieved 2016/04/26.
• 3、 Tian, Xuxia,Wang, Zhijian,Yang, Pengju,Hao, Ruipeng,Jia, Suping,Li, Na,Li, Li,Zhu, Zhenping. "Green oxidation of bio-lactic acid with H2O2 into tartronic acid under UV irradiation". . p. 41007 - 41010. Retrieved 2016/05/19.