2-Oxo-4-phenylbutyric acid

Base Information

Chemical Name:2-Oxo-4-phenylbutyric acid
CAS No.:710-11-2
Molecular Formula:C10H10O3
Molecular Weight:178.188
Hs Code.:2918300090
European Community (EC) Number:211-916-7
DSSTox Substance ID:DTXSID10221224
Nikkaji Number:J193.081H
Wikidata:Q72498896
ChEMBL ID:CHEMBL16281
Mol file:710-11-2.mol

Synonyms:2-oxo-4-phenylbutanoic acid;710-11-2;2-Oxo-4-phenylbutyric acid;2-Oxo-4-phenyl-butyric acid;CHEMBL16281;EINECS 211-916-7;MFCD00969471;2-Oxo-4-phenylbutanoate;2-Oxo-4-phenylbutanoicacid;2-oxo-4-phenyl-butanoic acid;Benzenebutanoic acid, alpha-oxo-;benzylpyruvic acid;oxobenzenebutanoic acid;4-phenyl-2-oxobutyric acid;4-phenyl-2-oxobutanoic acid;Benzenebutanoic acid, a-oxo-;2-oxo-4-phenyl butyric acid;SCHEMBL258545;4-Phenyl-2-Ketobutanoic Acid;DTXSID10221224;CHEBI:181422;2-OXO-4-PHENYL-BUTYRICACID;BDBM50125828;AKOS005174543;AC-3539;CS-W019322;DS-3613;2-oxo-4-phenyl-butyric acid, AldrichCPR;FT-0632864;O0389;C20327;EN300-143516;W-104537;Z1201620725

Suppliers and Price of 2-Oxo-4-phenylbutyric acid

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
Packaging
price

AHH
2-Oxo-4-phenylbutyric Acid 98%
100g
$ 688.00

AK Scientific
2-Oxo-4-phenylbutanoicacid
1g
$ 30.00

AK Scientific
2-Oxo-4-phenylbutanoicacid
10g
$ 145.00

AK Scientific
2-Oxo-4-phenylbutanoicacid
25g
$ 347.00

Alichem
2-Oxo-4-phenylbutanoicacid
25g
$ 181.80

Alichem
2-Oxo-4-phenylbutanoicacid
100g
$ 472.50

Apolloscientific
2-Oxo-4-phenylbutanoicacid 97%
100g
$ 615.00

Apolloscientific
2-Oxo-4-phenylbutanoicacid 97%
25g
$ 247.00

Apolloscientific
2-Oxo-4-phenylbutanoicacid 97%
5g
$ 83.00

Atlantic Research Chemicals
2-Oxo-4-phenylbutyric Acid 95%
10gm:
$ 187.33

Total 95 raw suppliers

Chemical Property of 2-Oxo-4-phenylbutyric acid

Chemical Property:

Appearance/Colour:White crystal
Vapor Pressure:0.000199mmHg at 25°C
Melting Point:47.0 to 51.0 °C
Refractive Index:1.547
Boiling Point:314.4 °C at 760 mmHg
PKA:2.53±0.54(Predicted)
Flash Point:158.1 °C
PSA：54.37000
Density:1.212 g/cm³
LogP:1.27290
Storage Temp.:0-10°C
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:178.062994177
Heavy Atom Count:13
Complexity:192

Purity/Quality:

99% ^*data from raw suppliers

2-Oxo-4-phenylbutyric Acid 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCC(=O)C(=O)O

Technology Process of 2-Oxo-4-phenylbutyric acid

There total 49 articles about 2-Oxo-4-phenylbutyric acid 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: 100.0%

: t-butyl 2-oxo-4-phenylbutanoate

: 710-11-2
2-oxo-4-phenylbutyric acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃;
DOI:10.1021/acs.jmedchem.0c00522

Reference yield: 99.0%

: 2-hydroxy-4-methyl-2-phenethylmorpholin-3-one

: 710-11-2
2-oxo-4-phenylbutyric acid

Guidance literature:: With hydrogenchloride; for 2h; Heating;
DOI:10.1246/bcsj.69.2079

Reference yield: 95.0%

: 4263-93-8,111611-91-7
2-hydroxy-4-phenylbutanoic acid

: 710-11-2
2-oxo-4-phenylbutyric acid

Guidance literature:: With 2-azatricyclo[3.3.1.1^3,7]dec-2-yloxidanyl; sodium nitrite; In aq. phosphate buffer; water; acetonitrile; at 25 ℃; for 2h; Solvent; Reagent/catalyst; chemoselective reaction;
DOI:10.1021/acs.orglett.6b01964