1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone

Base Information

• Chemical Name: 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone
• CAS No.: 82652-12-8
• Molecular Formula: C9H9FO3S
• Molecular Weight: 216.233
• Hs Code.: 2914700090
• European Community (EC) Number: 671-149-2
• DSSTox Substance ID: DTXSID80379185
• Wikidata: Q82168882
• Mol file: 82652-12-8.mol

Synonyms:82652-12-8;1-(3-fluorophenyl)-2-(methylsulfonyl)ethanone;1-(3-fluorophenyl)-2-methylsulfonylethanone;1-(3-fluorobenzoyl)dimethylsulfone;3'-fluoro-2-(methylsulphonyl)acetophenone;1-(3-fluorophenyl)-2-methanesulfonylethan-1-one;1-(3-fluorophenyl)-2-(methylsulfonyl)ethan-1-one;DTXSID80379185;1-(3-fluorobenzoyl)dimethylsulphone;MFCD01941312;3'-fluoro-2-methylsulfonylacetophenone;AKOS009157434;PS-6623;CS-0322390;FT-0615674;1-(3-Fluorophenyl)-2-(methylsulphonyl)ethanone;A840403;1-(3-Fluorophenyl)-2-(methanesulfonyl)ethan-1-one

Chemical Property of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone

Chemical Property:

• Vapor Pressure: 3.47E-05mmHg at 25°C
• Melting Point: 81-83 ºC
• Boiling Point: 414.3 ºC at 760 mmHg
• Flash Point: 204.4 ºC
• PSA: 59.59000
• Density: 1.328 g/cm³
• LogP: 2.13380
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.02564348
• Heavy Atom Count: 14
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Fluorophenyl)-2-methylsulfonylethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CC(=O)C1=CC(=CC=C1)F

Technology Process of 1-(3-Fluorophenyl)-2-(methylsulfonyl)ethanone

There total 3 articles about 1-(3-Fluorophenyl)-2-(methylsulfonyl)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: 76.0%

3-fluorostyrene (350-51-6) + 1-(methylsulfonyl)-2-(4-methoxyphenyl)diazene → 1-(3-fluorophenyl)-2-(methylsulfonyl)ethanone (82652-12-8)

Guidance literature:

With air; In 1,4-dioxane; water; at 25 ℃; for 16h; Irradiation;

Reference yield: 60.0%

1-ethynyl-3-fluoro-benzene (2561-17-3) + 1-(4-methoxyphenyl)-2-(methylsulfonyl)diazene → 1-(3-fluorophenyl)-2-(methylsulfonyl)ethanone (82652-12-8)

Guidance literature:

With air; In 1,4-dioxane; at 50 ℃; for 12h; Irradiation;

DOI:10.1016/j.tetlet.2019.151335

Reference yield:

dimethylsulfone (67-71-0) + methyl 3-fluorobenzoate (455-68-5) → 1-(3-fluorophenyl)-2-(methylsulfonyl)ethanone (82652-12-8)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 50 - 60 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02579

upstream raw materials:

dimethylsulfone

methyl 3-fluorobenzoate

3-fluorostyrene

1-ethynyl-3-fluoro-benzene

Downstream raw materials:

(Z)-N-(1-(3-fluorophenyl)-2-(methylsulfonyl)vinyl)acetamide

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