2-(Phenylsulfonyl)-1-p-tolylethanone

Base Information

• Chemical Name: 2-(Phenylsulfonyl)-1-p-tolylethanone
• CAS No.: 38488-14-1
• Molecular Formula: C15H14O3S
• Molecular Weight: 274.34
• UNII: XFA83Y7LQD
• ChEMBL ID: CHEMBL392808
• DSSTox Substance ID: DTXSID20575987
• Nikkaji Number: J304.486F
• Pharos Ligand ID: 6MWA2HD4T3YW
• Wikidata: Q82465490
• Mol file: 38488-14-1.mol

Synonyms:38488-14-1;2-(phenylsulfonyl)-1-p-tolylethanone;1-(4-methylphenyl)-2-(phenylsulfonyl)ethanone;1-p-Tolyl-2-(phenylsulfonyl)ethanone;2-(BENZENESULFONYL)-1-(4-METHYLPHENYL)ETHANONE;CHEMBL392808;Phenyl[2-oxo-2-(4-methylphenyl)ethyl] sulfone;2-(Benzenesulfonyl)-1-(4-methylphenyl)ethan-1-one;Ethanone, 1-(4-methylphenyl)-2-(phenylsulfonyl)-;XFA83Y7LQD;Phenyl 4-methylphenacyl sulfone;SCHEMBL6202982;DTXSID20575987;BDBM50212530;AKOS008967833;1-p-Tolyl-2-(phenylsulphonyl)ethanone;2-(Phenylsulfonyl)-1-(p-tolyl)ethanone;PD180073;A1-01425

Chemical Property of 2-(Phenylsulfonyl)-1-p-tolylethanone

Chemical Property:

• PSA: 59.59000
• LogP: 3.73240
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.06636548
• Heavy Atom Count: 19
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

Technology Process of 2-(Phenylsulfonyl)-1-p-tolylethanone

There total 36 articles about 2-(Phenylsulfonyl)-1-p-tolylethanone 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: 95.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + sodium benzenesulfonate (873-55-2) → 2-(phenylsulfonyl)-1-(p-tolyl)ethanone (38488-14-1)

Guidance literature:

With copper dichloride; In acetic acid; at 60 ℃; for 6h;

DOI:10.1016/j.tetlet.2020.152794

Reference yield: 95.0%

sodium benzenesulfonate (873-55-2) + 4-(bromoacetyl)toluene (619-41-0) → 2-(phenylsulfonyl)-1-(p-tolyl)ethanone (38488-14-1)

Guidance literature:

With PEG-400; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2006.03.181

Reference yield: 91.0%

4'-methylacetophenon enol acetate (22390-99-4) + sodium benzenesulfonate (873-55-2) → 2-(phenylsulfonyl)-1-(p-tolyl)ethanone (38488-14-1)

Guidance literature:

With iodine; In water; acetonitrile; at 70 ℃; for 10h; regioselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2016.04.018

upstream raw materials:

sodium benzenesulfonate

4-(bromoacetyl)toluene

para-methylacetophenone

1-((E)-2-Benzenesulfonyl-1-phenylselanyl-vinyl)-4-methyl-benzene

Downstream raw materials:

Phenylsulfonyl-p-toluoyl-diazomethan

(E)-2-Benzenesulfonyl-3-pyridin-2-yl-1-p-tolyl-propenone

(E)-2-Benzenesulfonyl-3-pyridin-3-yl-1-p-tolyl-propenone

(Z)-2-Benzenesulfonyl-3-thiophen-2-yl-1-p-tolyl-propenone

Refernces

• 1、 Li, Chen,Li, Fengxi,Li, Zhengqiang,Liu, Jiaxu,Su, Jiali,Wang, Chunyu,Wang, Lei,Xu, Yaning,Yu, Yue. "A glucose oxidase-hemoglobin system for efficient oxysulfonylation of alkenes/alkynes in water". . . Retrieved 2020/12/29.
• 2、 Wang, Shitong,Wang, Chengyi,Lv, Ning,Tan, Chunxia,Cheng, Tanyu,Liu, Guohua. "A Compartmentalized-type Bifunctional Magnetic Catalyst for One-pot Aerobic Oxysulfonylation and Asymmetric Transfer Hydrogenation". . p. 909 - 915. Retrieved 2020/11/30.