Pyruvatoxime

Base Information

• Chemical Name: Pyruvatoxime
• CAS No.: 2211-14-5
• Molecular Formula: C3H5 N O3
• Molecular Weight: 103.078
• Hs Code.: 2928000090
• Metabolomics Workbench ID: 38163
• ChEMBL ID: CHEMBL4091867
• Mol file: 2211-14-5.mol

Synonyms:2-oximinopropanoic acid;2-oximinopropanoic acid, ion (1-);pyruvatoxime;pyruvic oxime

Chemical Property of Pyruvatoxime

Chemical Property:

• Vapor Pressure: 0.00043mmHg at 25°C
• Boiling Point: 293.2°Cat760mmHg
• Flash Point: 131.1°C
• PSA: 69.89000
• Density: 1.35g/cm³
• LogP: -0.07890
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 103.026943022
• Heavy Atom Count: 7
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C(=O)O
• Isomeric SMILES: C/C(=N\O)/C(=O)O

Technology Process of Pyruvatoxime

There total 1 articles about Pyruvatoxime 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:

lanasol yellow 4G → acetamide (60-35-5) + 3-hydroxy-2-oxopropionic acid (1113-60-6) + 2-hydroxyiminopropanoic acid (2211-14-5) + 2-hydroxyacrylic acid (19071-34-2) + 4-hydroxysalicylic acid (89-86-1) + 2,5-dihydroxybenzoic acid. (490-79-9) + ethanimidic acid + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With potassium bromate; sodium sulfate; for 8h; pH=6; Reagent/catalyst; Kinetics; Irradiation; Electrochemical reaction;

DOI:10.1039/c4ra15889j

Reference yield: 85.0%

bis(triphenylphosphine)platinum(II) dichloride (10199-34-5,14056-88-3,15604-36-1) + 2-hydroxyiminopropanoic acid (2211-14-5) → [Pt(O2CC(CH3)NO)(P(C6H5)3)2] (177612-78-1)

Guidance literature:

With sodium methylate; In methanol; (N2); stirring (2 h); evapn. to dryness, stirring with CHCl3, centrifugation, pptn. with pentane or Et2O, drying (vac., 70°C); elem. anal.;

DOI:10.1515/znb-1996-0423

Reference yield:

2-hydroxyiminopropanoic acid (2211-14-5) + acetic anhydride (108-24-7) → acetonitrile (75-05-8,26809-02-9)

Guidance literature:

Downstream raw materials:

DL-alanine-2-D₁

rac-Ala-OH

acetonitrile

ethyl pyruvate oxime