2-Oxo-3-phenylpropanoate

Base Information

Chemical Name:2-Oxo-3-phenylpropanoate
CAS No.:620-76-8
Molecular Formula:C₉H₇O₃
Molecular Weight:163.153
Hs Code.:
DSSTox Substance ID:DTXSID30924063
Wikidata:Q27102755

Synonyms:3-phenylpyruvate;beta-phenylpyruvic acid;phenylpyruvate;phenylpyruvic acid;phenylpyruvic acid, calcium salt;phenylpyruvic acid, sodium salt

Suppliers and Price of 2-Oxo-3-phenylpropanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 3 raw suppliers

Chemical Property of 2-Oxo-3-phenylpropanoate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.039519081
Heavy Atom Count:12
Complexity:175

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(=O)C(=O)[O-]

Technology Process of 2-Oxo-3-phenylpropanoate

There total 5 articles about 2-Oxo-3-phenylpropanoate 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:

: phenylenolpyruvate

: 620-76-8
phenylpyruvate^-

Guidance literature:: With Helicobacter pylori 4-oxalocrotonate tautomerase DmpI; at 23 ℃; pH=7.3; Reagent/catalyst; Concentration; Kinetics; aq. phosphate buffer;
DOI:10.1016/j.bioorg.2010.07.002

Reference yield:

: 6Na⁽¹⁺⁾*Ru⁽³⁺⁾*Ru⁽²⁺⁾*2((OOCCH₂)2NCH₂)2^(4-)*OH^(1-)*2(C₈H₈(NH₂)COO)^(1-)=Na₆{(((OOCCH₂)2NCH₂)2Ru)2(OH)(C₈H₈(NH₂)COO)2}

: 2Ru⁽³⁺⁾*2((OOCCH₂)2NCH₂)2^(4-)*O^(2-)={(((OOCCH₂)2NCH₂)2Ru)2(O)}^(4-)

: hydrogen cation

: 620-76-8
phenylpyruvate^-

Guidance literature:: With O₂; In sodium hydroxide; byproducts: NH3; aq. NaOH; passing oxygen through soln. at pH 10.5 at 35°C for 72 h; acidification, complex is pptd. with ethanol and filtered, filtrate is reduced, again acidified, reduced in vacuo, white solid separates, positive test for keto and COOH group; Kinetics;
DOI:10.1016/S0277-5387(00)84579-9

Reference yield:

: 97645-23-3
prephenate^2-

: 620-76-8
phenylpyruvate^-

Guidance literature:: With K₂HPO₄ buffer; prephenate dehydratase; In water; at 25 ℃; for 19h; Equilibrium constant;
DOI:10.1006/jcht.1998.0444