[1-(Benzenesulfonyl)-1-bromoethyl]benzene

Base Information

• Chemical Name: [1-(Benzenesulfonyl)-1-bromoethyl]benzene
• CAS No.: 94929-78-9
• Molecular Formula: C14H13BrO2S
• Molecular Weight: 325.226
• DSSTox Substance ID: DTXSID90548800

Synonyms:[1-(Benzenesulfonyl)-1-bromoethyl]benzene;94929-78-9;DTXSID90548800

Chemical Property of [1-(Benzenesulfonyl)-1-bromoethyl]benzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 323.98196
• Heavy Atom Count: 18
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [1-(Benzenesulfonyl)-1-bromoethyl]benzene

There total 2 articles about [1-(Benzenesulfonyl)-1-bromoethyl]benzene 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:

[(1-phenylethyl)thio]benzene (40390-78-1,63864-83-5,21213-26-3) → α-bromo-α-methylbenzyl phenyl sulfone (94929-78-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent m-chloroperbenzoic acid / CH₂Cl₂ / 2 h / 0 °C

2: BrCCl₃, tert-butyl alcohol, KOH / 1.25 h / Ambient temperature

With potassium hydroxide; Bromotrichloromethane; 3-chloro-benzenecarboperoxoic acid; tert-butyl alcohol; In dichloromethane;

DOI:10.1021/ja00242a031

Reference yield:

phenyl α-methylbenzyl sulfone (24422-78-4) → α-bromo-α-methylbenzyl phenyl sulfone (94929-78-9)

Guidance literature:

With n-butyllithium; bromine; Multistep reaction; 1.) ether, -78 deg C;

DOI:10.1021/jo00208a001

Reference yield: 8.0%

silver methanesulfonate (2386-52-9) + α-bromo-α-methylbenzyl phenyl sulfone (94929-78-9) → α-phenyl vinyl phenylsulfone (49833-39-8) + Methanesulfonic acid 1-benzenesulfonyl-1-phenyl-ethyl ester (107270-99-5)

Guidance literature:

In acetonitrile; at 126 ℃; for 3h;

DOI:10.1021/ja00242a031

upstream raw materials:

phenyl α-methylbenzyl sulfone

[(1-phenylethyl)thio]benzene

Downstream raw materials:

α-phenyl vinyl phenylsulfone

Methanesulfonic acid 1-benzenesulfonyl-1-phenyl-ethyl ester

phenyl α-methylbenzyl sulfone

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