2-Chloroethyl 4-fluorophenyl sulfone

Base Information

• Chemical Name: 2-Chloroethyl 4-fluorophenyl sulfone
• CAS No.: 33330-46-0
• Molecular Formula: C8H8ClFO2S
• Molecular Weight: 222.668
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID00371409
• Wikidata: Q82158731
• Mol file: 33330-46-0.mol

Synonyms:33330-46-0;2-CHLOROETHYL 4-FLUOROPHENYL SULFONE;1-(2-chloroethylsulfonyl)-4-fluorobenzene;2-Chloroethyl 4-fluorophenyl sulphone;1-((2-Chloroethyl)sulfonyl)-4-fluorobenzene;1-[(2-Chloroethyl)sulfonyl]-4-fluorobenzene;1-(2-chloroethanesulfonyl)-4-fluorobenzene;1-(2-chloroethylsulfonyl)-4-fluoro-benzene;SCHEMBL1148799;DTXSID00371409;VOJIERKKDNYFCX-UHFFFAOYSA-N;MFCD00203483;AKOS009158873;2-Chloroethyl-(4-fluorophenyl)sulphone;PS-11526;CS-0314893;FT-0611948;A821729;J-504072

Chemical Property of 2-Chloroethyl 4-fluorophenyl sulfone

Chemical Property:

• Vapor Pressure: 7.65E-05mmHg at 25°C
• Melting Point: 67 °C
• Boiling Point: 352.7°Cat760mmHg
• Flash Point: 167.1°C
• PSA: 42.52000
• Density: 1.363g/cm³
• LogP: 2.91900
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.9917565
• Heavy Atom Count: 13
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

2-Chloroethyl4-FluorophenylSulfone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)S(=O)(=O)CCCl

Technology Process of 2-Chloroethyl 4-fluorophenyl sulfone

There total 3 articles about 2-Chloroethyl 4-fluorophenyl sulfone 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: 94.0%

2-[(4-fluorophenyl)sulfonyl]ethanol (28122-13-6) → 1-((2-chloroethyl)sulfonyl)-4-fluorobenzene (33330-46-0)

Guidance literature:

With pyridine; thionyl chloride; at 0 - 23 ℃; for 20h;

DOI:10.1021/acs.orglett.0c04054

Reference yield:

4-Fluorothiophenol (371-42-6) → 1-((2-chloroethyl)sulfonyl)-4-fluorobenzene (33330-46-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / methanol / 1.5 h / -5 °C

1.2: 21 h / -5 - 23 °C

2.1: oxone||potassium monopersulfate triple salt / methanol / 2 h / 10 - 23 °C

3.1: pyridine; thionyl chloride / 20 h / 0 - 23 °C

With pyridine; thionyl chloride; oxone||potassium monopersulfate triple salt; sodium hydroxide; In methanol;

DOI:10.1021/acs.orglett.0c04054

Reference yield:

2-[(4-fluorophenyl)thio]ethanol (5322-63-4) → 1-((2-chloroethyl)sulfonyl)-4-fluorobenzene (33330-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: oxone||potassium monopersulfate triple salt / methanol / 2 h / 10 - 23 °C

2: pyridine; thionyl chloride / 20 h / 0 - 23 °C

With pyridine; thionyl chloride; oxone||potassium monopersulfate triple salt; In methanol;

DOI:10.1021/acs.orglett.0c04054

upstream raw materials:

4-Fluorothiophenol

2-[(4-fluorophenyl)thio]ethanol

2-[(4-fluorophenyl)sulfonyl]ethanol

Downstream raw materials:

2-[2-(4-fluorophenyl)sulfonylethylthio]-N-(2-thienylmethyl)-nicotinamide

1-(vinylsulfonyl)-4-fluorobenzene