4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione

Base Information

Chemical Name:4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
CAS No.:6338-85-8
Molecular Formula:C16H14O4S
Molecular Weight:302.351
Hs Code.:
NSC Number:40934
DSSTox Substance ID:DTXSID50979550
Nikkaji Number:J2.096.371I
Wikidata:Q82965229
ChEMBL ID:CHEMBL1897241

Synonyms:6338-85-8;MLS002608282;4-(benzenesulfonyl)-1-phenylbutane-1,3-dione;NSC40934;CHEMBL1897241;DTXSID50979550;HMS3078J10;NSC-40934;SMR001527033

Suppliers and Price of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione

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

Total 4 raw suppliers

Chemical Property of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione

Chemical Property:

Vapor Pressure:1.54E-10mmHg at 25°C
Boiling Point:510.5°Cat760mmHg
Flash Point:328.6°C
Density:1.274g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:302.06128010
Heavy Atom Count:21
Complexity:463

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)CS(=O)(=O)C2=CC=CC=C2

Technology Process of 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione

There total 5 articles about 4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione 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:

: 3112-85-4
methylphenylsulfonate

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 6338-85-8
1-phenyl-4-(phenylsulfonyl)butane-1,3-dione

Guidance literature:: methylphenylsulfonate; With n-butyllithium; In tetrahydrofuran; hexane; at -10 - 0 ℃; for 1h; Inert atmosphere; Schlenk technique;

ethyl 3-oxo-3-phenylpropionate; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.9b01829

Reference yield:

: 873-55-2
sodium benzenesulfonate

: 6338-85-8
1-phenyl-4-(phenylsulfonyl)butane-1,3-dione

Guidance literature:: Multi-step reaction with 3 steps

1.1: 88 percent / dimethylformamide / 24 h / 20 °C

2.1: LDA; HMPA / tetrahydrofuran; hexane / 4 h / 0 °C

2.2: 92 percent / tetrahydrofuran; hexane / 0 - 20 °C

3.1: 93 percent / Dess-Martin periodinane / CH₂Cl₂ / 6 h / 20 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; Dess-Martin periodane; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2004.07.087

Reference yield:

: 5000-44-2
1-phenylsulfonyl-2-propanone

: 6338-85-8
1-phenyl-4-(phenylsulfonyl)butane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: LDA; HMPA / tetrahydrofuran; hexane / 4 h / 0 °C

1.2: 92 percent / tetrahydrofuran; hexane / 0 - 20 °C

2.1: 93 percent / Dess-Martin periodinane / CH₂Cl₂ / 6 h / 20 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; Dess-Martin periodane; lithium diisopropyl amide; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1016/j.tet.2004.07.087