1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethanone

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
• CAS No.: 27918-37-2
• Molecular Formula: C15H14O4S
• Molecular Weight: 290.34
• European Community (EC) Number: 667-686-7
• ChEMBL ID: CHEMBL238620
• DSSTox Substance ID: DTXSID00401432
• Nikkaji Number: J1.018.299I
• Pharos Ligand ID: 58P22ACY4BKB
• Wikidata: Q82204534
• Mol file: 27918-37-2.mol

Synonyms:27918-37-2;1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone;2-(benzenesulfonyl)-1-(4-methoxyphenyl)ethanone;CHEMBL238620;1-(4-methoxyphenyl)-2-(phenylsulfonyl)-1-ethanone;Oprea1_356612;SCHEMBL6203408;DTXSID00401432;BDBM50212535;AKOS005097711;7H-365S;PD179003;4'-METHOXY-2-(PHENYLSULFONYL)ACETOPHENONE;2-(benzenesulfonyl)-1-(4-methoxyphenyl)ethan-1-one

Chemical Property of 1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethanone

Chemical Property:

• PSA: 68.82000
• LogP: 3.43260
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 290.06128010
• Heavy Atom Count: 20
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

1-(4-METHOXYPHENYL)-2-(PHENYLSULFONYL)-1-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

Technology Process of 1-(4-Methoxyphenyl)-2-(phenylsulfonyl)ethanone

There total 40 articles about 1-(4-Methoxyphenyl)-2-(phenylsulfonyl)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: 96.0%

4-Methoxystyrene (637-69-4,24936-44-5) + sodium benzenesulfonate (873-55-2) → 1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone (27918-37-2)

Guidance literature:

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

DOI:10.1016/j.tetlet.2020.152794

Reference yield: 95.0%

4-methoxyphenylboronic acid (5720-07-0) + 2-(phenylsulfonyl)acetonitrile (7605-28-9) → 1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone (27918-37-2)

Guidance literature:

4-methoxyphenylboronic acid; 2-(phenylsulfonyl)acetonitrile; With [Rh(OH)(cod)]2; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; water; at 75 ℃; for 14h; Inert atmosphere;

With hydrogenchloride; In 1,4-dioxane; water; at 75 ℃; for 3h;

DOI:10.1021/ol102598p

Reference yield: 94.0%

sodium benzenesulfonate (873-55-2) + 3-(4-methoxy-phenyl)-3-oxo-propionic acid (13422-77-0) → 1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone (27918-37-2)

Guidance literature:

With sodium phosphate dodecahydrate; N-Bromosuccinimide; In water; at 22 ℃; for 20h;

upstream raw materials:

methylphenylsulfonate

ethyl 4-methoxybenzoate

sodium benzenesulfonate

2-Bromo-4'-methoxyacetophenone

Downstream raw materials:

4-methoxy-α-diazo-α-benzenesulfonyl acetophenone

2-Benzenesulfonyl-1-(4-methoxy-phenyl)-3-phenyl-propan-1-one

2-Benzenesulfonyl-1-(4-methoxy-phenyl)-butan-1-one

3-Benzenesulfonyl-4-(4-methoxy-phenyl)-4-oxo-butyric acid ethyl ester

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