3-Oxo-3-phenylpropionate

Base Information

Chemical Name:3-Oxo-3-phenylpropionate
CAS No.:29285-17-4
Molecular Formula:C9H7 O3
Molecular Weight:163.153
Hs Code.:
DSSTox Substance ID:DTXSID701282848
Nikkaji Number:J2.764.895I
Wikidata:Q27109506
Mol file:29285-17-4.mol

Synonyms:3-oxo-3-phenylpropionate;Benzoylacetate;3-oxo-3-phenylpropanoate;29285-17-4;BENZOYL-ACETATE;3-oxo-3-(phenyl)propanoate;CHEBI:22731;HXUIDZOMTRMIOE-UHFFFAOYSA-M;DTXSID701282848;Benzenepropanoic acid, beta-oxo-, ion(1-);Q27109506

Suppliers and Price of 3-Oxo-3-phenylpropionate

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 0 raw suppliers

Chemical Property of 3-Oxo-3-phenylpropionate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:349.07°C at 760 mmHg
Flash Point:179.107°C
PSA：57.20000
LogP:0.00930
XLogP3:1.8
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Oxo-3-phenylpropionate

There total 2 articles about 3-Oxo-3-phenylpropionate 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:

: 124-38-9,18923-20-1
carbon dioxide

: 98-86-2
acetophenone

: 29285-17-4
benzoylacetate

Guidance literature:: With 3 A molecular sieve; tetrabutylammomium bromide; tetraethylammonium nitrite; bis(tetra-n-butylammonium) tetrakis(benzenethiolato-μ3-sulfidoiron); In acetonitrile; electrolisis at -1.25 V vs SCE;
DOI:10.1021/ja00189a009

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: 4294-99-9
tetraethylammonium nitrite

: 98-86-2
acetophenone

: 201230-82-2
carbon monoxide

: 71-47-6
formate

: 29285-17-4
benzoylacetate

Guidance literature:: With tetrabutylammomium bromide; [Ru(2,2'-bipyridine)2(CO)2](hexafluorophosphate)2; In acetonitrile; byproducts: N2, H2O; Electrolysis; controlled potential electrolysis, CO2-satd. dry CH3CN, molecular sieves as dehydrating agent;
DOI:10.1246/cl.1988.2033