Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate

Base Information

• Chemical Name: Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate
• CAS No.: 6297-65-0
• Molecular Formula: C₁₇H₁₆O₅S
• Molecular Weight: 332.377
• NSC Number: 46069
• DSSTox Substance ID: DTXSID40286482
• Nikkaji Number: J462.350I
• Mol file: 6297-65-0.mol

Synonyms:6297-65-0;ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate;NSC46069;DTXSID40286482;NSC-46069

Chemical Property of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate

Chemical Property:

• Vapor Pressure: 8.07E-11mmHg at 25°C
• Boiling Point: 517.6°C at 760 mmHg
• Flash Point: 266.8°C
• Density: 1.275g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 332.07184478
• Heavy Atom Count: 23
• Complexity: 508

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate

There total 4 articles about Ethyl 2-(benzenesulfonyl)-3-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: 94.0%

sodium benzenesulfonate (873-55-2) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → ethyl 3-oxo-3-phenyl-2-(phenylsulfonyl)propanoate (6297-65-0)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In water; acetonitrile; at 65 ℃; for 1h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1039/c4ra09821h

Reference yield: 90.0%

sodium benzenesulfonate (873-55-2) + 2-iodo-3-oxo-3-phenyl-propionic acid ethyl ester (34320-89-3) → ethyl 3-oxo-3-phenyl-2-(phenylsulfonyl)propanoate (6297-65-0)

Guidance literature:

In acetonitrile; at 65 ℃; for 1h;

DOI:10.1039/c4ra09821h

Reference yield:

sodium benzenesulfonate (873-55-2) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → ethyl 2-phenylsulfonylacetate (7605-30-3) + ethyl 3-oxo-3-phenyl-2-(phenylsulfonyl)propanoate (6297-65-0)

Guidance literature:

With iron(III) perchlorate hydrate; In ethanol; water; at 40 ℃; for 3h;

DOI:10.1002/ejoc.201900258

upstream raw materials:

ethyl 2-bromo-3-oxo-3-phenylpropionate

sodium benzenesulfonate

ethyl 3-oxo-3-phenylpropionate

2-iodo-3-oxo-3-phenyl-propionic acid ethyl ester

Refernces

• 1、 Gao, Wen-Chao,Zhao, Jin-Jin,Chang, Hong-Hong,Li, Xing,Liu, Qiang,Wei, Wen-Long. "Iodine-catalysed sp3 C-H sulfonylation to form β-dicarbonyl sulfones with sodium sulfinates". . p. 49329 - 49332. Retrieved 2014/12/10.