Benzyl 2-oxo-4-phenylbutanoate

Base Information

Chemical Name:Benzyl 2-oxo-4-phenylbutanoate
CAS No.:84688-29-9
Molecular Formula:C17H16O3
Molecular Weight:268.30700
Hs Code.:
DSSTox Substance ID:DTXSID70593196
Wikidata:Q82487636
Mol file:84688-29-9.mol

Synonyms:84688-29-9;benzyl 2-oxo-4-phenylbutanoate;BENZYL 2-OXO-4-PHENYLBUTYRATE;Benzenebutanoic acid, a-oxo-, phenylmethyl ester;benzyl2-oxo-4-phenylbutanoate;SCHEMBL7060700;DTXSID70593196;PUVAQZVULKCPHQ-UHFFFAOYSA-N;AKOS030254593;DA-19736

Suppliers and Price of Benzyl 2-oxo-4-phenylbutanoate

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

TRC
Benzyl2-Oxo-4-phenylbutyrate
5mg
$ 120.00

Biosynth Carbosynth
Benzyl 2-oxo-4-phenylbutyrate
50 mg
$ 841.50

Biosynth Carbosynth
Benzyl 2-oxo-4-phenylbutyrate
25 mg
$ 463.00

Biosynth Carbosynth
Benzyl 2-oxo-4-phenylbutyrate
10 mg
$ 254.50

Biosynth Carbosynth
Benzyl 2-oxo-4-phenylbutyrate
5 mg
$ 140.00

Biosynth Carbosynth
Benzyl 2-oxo-4-phenylbutyrate
100 mg
$ 1529.00

AK Scientific
Benzyl2-oxo-4-phenylbutanoate
50mg
$ 1186.00

Total 5 raw suppliers

Chemical Property of Benzyl 2-oxo-4-phenylbutanoate

Chemical Property:

Boiling Point:417.5±34.0 °C(Predicted)
PSA：43.37000
Density:1.151±0.06 g/cm3(Predicted)
LogP:2.93170
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:268.109944368
Heavy Atom Count:20
Complexity:312

Purity/Quality:

98%Min ^*data from raw suppliers

Benzyl2-Oxo-4-phenylbutyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCC(=O)C(=O)OCC2=CC=CC=C2
Uses Benzyl 2-Oxo-4-phenylbutyrate is a reagent used in the production of antihypertensives

Technology Process of Benzyl 2-oxo-4-phenylbutanoate

There total 4 articles about Benzyl 2-oxo-4-phenylbutanoate 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: 20.0%

: benzyl 2,3-dihydroxy-4-phenylbutanoate

: benzyl (2S,3S)-3-azido-2-hydroxy-4-phenylbutanoate

: 1242168-88-2
benzyl (2R,3R)-3-azido-2-hydroxy-4-phenylbutanoate

: 84688-29-9
benzyl 2-oxo-4-phenyl-butyrate

Guidance literature:: With ammonia; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; benzene; at 0 - 20 ℃; optical yield given as %ee; Inert atmosphere;
DOI:10.1055/s-0029-1218771

Reference yield:

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

: 84688-29-9
benzyl 2-oxo-4-phenyl-butyrate

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / dicyclohexylcarbodiimide / diethyl ether / 1.5 h / 20 °C

2: Heating

With dicyclohexyl-carbodiimide; In diethyl ether; 1: Esterification / 2: transesterification;
DOI:10.1246/bcsj.71.425

Reference yield:

: 64920-29-2
2-oxo-4-phenylbutanoic acid ethyl ester

: 84688-29-9
benzyl 2-oxo-4-phenyl-butyrate

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / aq. NaOH / 0 °C

2: 75 percent / dicyclohexylcarbodiimide / diethyl ether / 1.5 h / 20 °C

3: Heating

With sodium hydroxide; dicyclohexyl-carbodiimide; In diethyl ether; 1: Hydrolysis / 2: Esterification / 3: transesterification;
DOI:10.1246/bcsj.71.425