Oxalic acid-d2

Base Information

• Chemical Name: Oxalic acid-d2
• CAS No.: 2065-73-8
• Molecular Formula: C2D2O4
• Molecular Weight: 92.0196
• European Community (EC) Number: 218-181-1
• DSSTox Substance ID: DTXSID50174689
• Nikkaji Number: J298.679E
• Wikidata: Q83044796
• Mol file: 2065-73-8.mol

Synonyms:Oxalic acid-d2;dideuterio oxalate;2065-73-8;Oxalic [2H]acid;Ethanedioic acid-d2;Oxalic (2H)acid;EINECS 218-181-1;Oxalic Acid D2;C2D2O4;HY-Y0262S;DTXSID50174689;C2-D2-O4;CS-O-14501;LS-99399;CS-0202057

Chemical Property of Oxalic acid-d2

Chemical Property:

• Vapor Pressure: 2.51E-06mmHg at 25°C
• Melting Point: 190 °C (dec.)(lit.)
• Refractive Index: 1.48
• Boiling Point: 365.1 °C at 760 mmHg
• Flash Point: 188.8 °C
• PSA: 74.60000
• Density: 1.772 g/cm³
• LogP: -0.84440
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 92.00786203
• Heavy Atom Count: 6
• Complexity: 71.5

Purity/Quality:

99%, ^*data from raw suppliers

Oxalic Acid-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21/22-34-63
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(=O)O)O
• Isomeric SMILES: [2H]OC(=O)C(=O)O[2H]
• Uses: Isotope labelled impurity of oxaliplatin which is a coordination complex that is used in cancer chemotherapy.A reducing agent and its conjugate base, known as oxalate (C2O42?), is a useful chelating agent for metal cations.

Technology Process of Oxalic acid-d2

There total 4 articles about Oxalic acid-d2 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:

ethyl 2,3-dioxo-3-phenylpropanoate (3885-45-8) → oxalic acid-d2 (2065-73-8) + benzoic-acid-d1 (1005-01-2,406679-59-2)

Guidance literature:

With iron(III) sulfate; water-d2; at 25 ℃; for 9h; pH=4;

DOI:10.1002/anie.200806296

Reference yield:

oxalic acid (144-62-7,97993-78-7) → oxalic acid-d2 (2065-73-8)

Guidance literature:

With water-d2;

Reference yield:

→ oxalic acid-d2 (2065-73-8)

Guidance literature:

With water-d2; sulfuric acid-d2; Durch zweimaliges Abdampfen;

upstream raw materials:

oxalic acid

ethyl 2,3-dioxo-3-phenylpropanoate

Downstream raw materials:

Glycol-d(2)-Saeure

formic acid-d₁

dideuterioformic acid

carbon dioxide

Refernces

• 1、 Schmitt, Heike,Zimmermann,Koerner,Stumber,Meinel,Haeberlen. "Precision measurement of the quadrupole coupling and chemical shift tensors of the deuterons in α-calcium formate". . p. 65 - 77. Retrieved 2001.