2-Fluoroethyl benzenesulfonate

Base Information

• Chemical Name: 2-Fluoroethyl benzenesulfonate
• CAS No.: 383-51-7
• Molecular Formula: C₈H₉FO₃S
• Molecular Weight: 204.222
• DSSTox Substance ID: DTXSID701284137
• Mol file: 383-51-7.mol

Synonyms:2-fluoroethyl benzenesulfonate;383-51-7;SCHEMBL1845251;DTXSID701284137;Ethanol, 2-fluoro-, 1-benzenesulfonate

Chemical Property of 2-Fluoroethyl benzenesulfonate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 204.02564348
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OCCF

Technology Process of 2-Fluoroethyl benzenesulfonate

There total 5 articles about 2-Fluoroethyl benzenesulfonate 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: 87.0%

2-fluoroethyl benzenesulfinate (1207989-37-4) → 2-fluoroethyl benzenesulfonate (383-51-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 64.0%

2-fluoroethanol (371-62-0) + benzenesulfonyl chloride (98-09-9) → 2-fluoroethyl benzenesulfonate (383-51-7)

Guidance literature:

With potassium trimethylsilonate; In tetrahydrofuran; for 2.5h; cooling;

DOI:10.1002/jlcr.991

Reference yield:

phenyltetrafluoro-λ6-sulfanyl chloride (203126-16-3,203210-31-5,1063625-79-5) → 2-fluoroethyl benzenesulfonate (383-51-7)

Guidance literature:

Multi-step reaction with 3 steps

1: diphenyldisulfane / dichloromethane / 1 h / 85 °C / Inert atmosphere

2: dichloromethane / -78 - 20 °C / Inert atmosphere

3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 3 h / 20 °C

With 3-chloro-benzenecarboperoxoic acid; diphenyldisulfane; In dichloromethane;

DOI:10.1016/j.jfluchem.2012.03.008

upstream raw materials:

2-chloroethyl benzenesulfonate

2-fluoroethanol

benzenesulfonyl chloride

2-fluoroethyl benzenesulfinate

Downstream raw materials:

2-(2-fluoroethoxy)naphthalene