1-Ethylsulfanyl-4-fluorobenzene

Base Information

• Chemical Name: 1-Ethylsulfanyl-4-fluorobenzene
• CAS No.: 2924-75-6
• Molecular Formula: C8H9FS
• Molecular Weight: 156.224
• DSSTox Substance ID: DTXSID60415878
• Nikkaji Number: J1.190.956F
• Wikidata: Q82224931
• Mol file: 2924-75-6.mol

Synonyms:2924-75-6;Ethyl 4-fluorophenyl sulfide;1-ethylsulfanyl-4-fluorobenzene;Benzene, 1-(ethylthio)-4-fluoro-;1-(ETHYLSULFANYL)-4-FLUOROBENZENE;1-(ethylthio)-4-fluorobenzene;ethyl(4-fluorophenyl)sulfane;SCHEMBL642607;1-Fluoro-4-(ethylthio)benzene;DTXSID60415878;ZWXGNGNLEAAUST-UHFFFAOYSA-N;CAA92475;AKOS006241930;InChI=1/C8H9FS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H

Chemical Property of 1-Ethylsulfanyl-4-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.365mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.04089962
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSC1=CC=C(C=C1)F

Technology Process of 1-Ethylsulfanyl-4-fluorobenzene

There total 9 articles about 1-Ethylsulfanyl-4-fluorobenzene 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: 81.0%

4-Fluorothiophenol (371-42-6) + ethyl iodide (75-03-6) → 1-(Ethylthio)-4-fluorobenzene (2924-75-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 71.0%

4-Fluorophenol (371-41-5) + ethyl ester of p-toluenesulfonic acid (80-40-0) → 1-(Ethylthio)-4-fluorobenzene (2924-75-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2016.01.003

Reference yield: 50.0%

4-fluoro-1-iodobenzene (352-34-1) + ethanethiol (75-08-1) → 1-(Ethylthio)-4-fluorobenzene (2924-75-6)

Guidance literature:

With C₂₄H₂₈F₂NPPd; In benzene; at 20 ℃; for 0.0166667h; Reagent/catalyst; Glovebox;

DOI:10.1021/ic402315a

upstream raw materials:

4-fluoroaniline

ethanethiol

p-fluorothioanisole

methyl iodide

Downstream raw materials:

ethyl p-fluorophenyl sulfoxide

(S)-ethyl (p-F)-phenyl sulfoxide

fluoresone

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