Phosphonatoenolpyruvate

Base Information

• Chemical Name: Phosphonatoenolpyruvate
• CAS No.: 67533-07-7
• Molecular Formula: C₃H₂O₆P
• Molecular Weight: 165.019
• DSSTox Substance ID: DTXSID401259628
• Nikkaji Number: J1.961.441G
• Wikidata: Q27125977
• Mol file: 67533-07-7.mol

Synonyms:phosphonatoenolpyruvate;phosphoenol pyruvate;2-phosphonatooxyprop-2-enoate;Phosphoenol pyruvate(PEP);phosphonatoenolpyruvate(3-);2-(phosphooxy)- 2-propenoate;CHEBI:58702;2-(phosphonoatooxy)prop-2-enoate;2-(Dioxylatophosphinyloxy)acrylate;DTXSID401259628;2-Propenoic acid, 2-(phosphonooxy)-, ion(3-);Q27125977;67533-07-7

Chemical Property of Phosphonatoenolpyruvate

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 164.95889978
• Heavy Atom Count: 10
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=C(C(=O)[O-])OP(=O)([O-])[O-]

Technology Process of Phosphonatoenolpyruvate

There total 1 articles about Phosphonatoenolpyruvate 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: 30.0%

sodium phosphoenol pyruvaldehyde → glycolic Acid (79-14-1) + phosphoenolpyruvate trianion (67533-07-7)

Guidance literature:

With dihydrogen peroxide; iron(II) chloride; In aq. phosphate buffer; at 0 - 25 ℃; for 1h; pH=10;

DOI:10.1038/nchem.2624

Reference yield:

phosphoenolpyruvate trianion (67533-07-7) + [13C6]aniline (100849-37-4) → C3(13)C12H15N2O4P

Guidance literature:

With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; at 22 ℃; for 2h;

DOI:10.1021/ac801693c

Reference yield:

phosphoenolpyruvate trianion (67533-07-7) + aniline (62-53-3) → C15H15N2O4P

Guidance literature:

With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; at 22 ℃; for 2h;

DOI:10.1021/ac801693c

Downstream raw materials:

oxaloacetate