2-(4-Fluoro-phenyl)-ethanesulfonyl chloride

Base Information

• Chemical Name: 2-(4-Fluoro-phenyl)-ethanesulfonyl chloride
• CAS No.: 405219-34-3
• Molecular Formula: C8H8ClFO2S
• Molecular Weight: 222.668
• Hs Code.: 2904909090
• European Community (EC) Number: 826-936-7
• DSSTox Substance ID: DTXSID50374642
• Wikidata: Q82163242
• Mol file: 405219-34-3.mol

Synonyms:405219-34-3;2-(4-fluorophenyl)ethanesulfonyl Chloride;2-(4-Fluoro-phenyl)-ethanesulfonyl chloride;SCHEMBL66512;DTXSID50374642;YPVFLPWWOHVBBO-UHFFFAOYSA-N;MFCD04117461;AKOS006220934;AB20717;2-(4-fluorophenyl)ethanesulfonylChloride;2-(4-flourophenyl)ethanesulfonyl chloride;2-(4-Fluorophenyl)-ethanesulfonyl chloride;EN300-272553;2-(4-FLUOROPHENYL)ETHANE-1-SULFONYL CHLORIDE;2-(4-fluoro-phenyl)-ethanesulfonyl chloride, AldrichCPR

Chemical Property of 2-(4-Fluoro-phenyl)-ethanesulfonyl chloride

Chemical Property:

• PSA: 42.52000
• LogP: 3.01760
• XLogP3: 2.4
• 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:

99% ^*data from raw suppliers

2-(4-Fluorophenyl)ethanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCS(=O)(=O)Cl)F

Technology Process of 2-(4-Fluoro-phenyl)-ethanesulfonyl chloride

There total 7 articles about 2-(4-Fluoro-phenyl)-ethanesulfonyl chloride 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: 73.0%

3-(4-fluorophenyl)propanoic acid (459-31-4) → 2-(4-fluoro-phenyl)-ethanesulfonyl chloride (405219-34-3)

Guidance literature:

With N-chloro-succinimide; 9-(2-chlorophenyl)acridine; 1,4-diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct; In dichloromethane; Irradiation;

DOI:10.1039/d2sc00789d

Reference yield:

2-(4-fluorophenyl)ethanesulfonic acid sodium salt → 2-(4-fluoro-phenyl)-ethanesulfonyl chloride (405219-34-3)

Guidance literature:

With phosphorus pentachloride; In toluene;

Reference yield:

thioacetic acid S-[2-(4-fluoro-phenyl)-ethyl] ester (455267-22-8) → 2-(4-fluoro-phenyl)-ethanesulfonyl chloride (405219-34-3)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 0 ℃;

DOI:10.1002/chem.201602138

upstream raw materials:

thioacetic acid S-[2-(4-fluoro-phenyl)-ethyl] ester

(2-bromoethyl)-4-fluorobenzene

2-(4-fluorophenyl)ethane-1-thiol

1-(2-chloroethyl)-4-fluorobenzene

Downstream raw materials:

{6-[2-(4-fluoro-phenyl)-ethanesulfonyl]-5,6,7,8-tetrahydro-[2,6]naphthyridin-1-yl}-quinolin-3-yl-amine

C-{1-[2-(4-Fluoro-phenyl)-ethanesulfonyl]-piperidin-4-yl}-methylamine

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