1-(4-(Phenylsulfonyl)phenyl)ethanone

Base Information

• Chemical Name: 1-(4-(Phenylsulfonyl)phenyl)ethanone
• CAS No.: 65085-83-8
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.313
• Hs Code.: 2914700090
• NSC Number: 102493
• DSSTox Substance ID: DTXSID50983632
• Nikkaji Number: J678.118G
• Wikidata: Q72435161
• ChEMBL ID: CHEMBL3407797
• Mol file: 65085-83-8.mol

Synonyms:65085-83-8;4-Acetyldiphenyl sulfone;1-(4-(Phenylsulfonyl)phenyl)ethanone;1-[4-(benzenesulfonyl)phenyl]ethanone;1-[4-(phenylsulfonyl)phenyl]ethanone;1-[4-(phenylsulfonyl)phenyl]ethan-1-one;1-[4-(phenylsulfonyl)phenyl]-1-ethanone;C14H12O3S;4-Acetyl diphenyl sulfone;1-[4-(benzenesulfonyl)phenyl]ethan-1-one;1-(4-(Phenylsulfonyl)phenyl)ethan-1-one;NSC102493;4-Acetyldiphenylsulfone,98%;4-Acetylphenyl phenyl sulfone;4-(phenylsulfonyl)acetophenone;SCHEMBL5387372;4'-(phenylsulfonyl)acetophenone;CHEMBL3407797;DTXSID50983632;FGFHDNIGKVTTLC-UHFFFAOYSA-N;CCG-55635;MFCD00173085;1-(4-phenylsulfonyl-phenyl)-ethanone;4-Acetyldiphenyl sulfone, AldrichCPR;3-DIMETHYLAMINONEOPENTYLACRYLATE;AKOS015898608;NSC-102493;1-[4-(phenylsulphonyl)phenyl]ethan-1-one;CS-0322717;FT-0607141;1J-018;A834967;J-514287;SR-01000644652-1

Chemical Property of 1-(4-(Phenylsulfonyl)phenyl)ethanone

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 2.58E-08mmHg at 25°C
• Melting Point: 138-140 °C
• Refractive Index: 1.579
• Boiling Point: 450.7 °C at 760 mmHg
• Flash Point: 284.6 °C
• PSA: 59.59000
• Density: 1.243 g/cm³
• LogP: 3.80280
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 380

Purity/Quality:

98% or more ^*data from raw suppliers

1-[4-(Phenylsulfonyl)phenyl]-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
• Uses: 4-Acetyldiphenyl sulfone is used as an intermediate in organic synthesis.

Technology Process of 1-(4-(Phenylsulfonyl)phenyl)ethanone

There total 28 articles about 1-(4-(Phenylsulfonyl)phenyl)ethanone 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: 92.0%

4-Iodoacetophenone (13329-40-3) + sodium benzenesulfonate (873-55-2) → 4'-(phenylsulfonyl)acetophenone (65085-83-8)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 110 ℃; for 24h; Green chemistry;

DOI:10.1039/C8NJ02677G

Reference yield: 91.0%

1-[4-(phenylthio)phenyl]ethan-1-one (10169-55-8) → 4'-(phenylsulfonyl)acetophenone (65085-83-8)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 4--methoxyisoquinoline; oxygen; copper(II) sulfate; In methanol; at 65 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube; Green chemistry;

Reference yield: 90.0%

sodium benzenesulfonate (873-55-2) + potassium 4-acetylphenyltrifluoroborate → 4'-(phenylsulfonyl)acetophenone (65085-83-8)

Guidance literature:

With copper(l) iodide; sodium acetate; In 1,2-dichloro-ethane; at 25 ℃; for 3h;

DOI:10.3184/174751914X13946468223913

upstream raw materials:

methyl magnesium iodide

4-(phenylsulfonyl)benzonitrile

1-[4-(phenylthio)phenyl]ethan-1-one

sodium benzenesulfonate

Downstream raw materials:

4-(phenylsulfonyl)benzoic acid

C₂₄H₂₇NO₇S

Refernces

• 1、 Bertini, Simone,Henryon, Dorothée,Edmunds, Andrew J. F.,Albrecht, Martin. "Pyridylidene Amide Ru Complex for Selective Oxidation in Organic Synthesis". supporting information. p. 1378 - 1382. Retrieved 2022/02/23.
• 2、 Ge, Xin,He, Xi,Liu, Xuemin,Qian, Chao,Song, Weili,Yang, Jinguo,Zhou, Shaodong. "Interfacing sugar-based surfactant micelles and Cu nanoparticles: A nanoreactor for C-S coupling reactions in water". supporting information. p. 6322 - 6329. Retrieved 2021/09/10.