Fluoromethyl phenyl sulfide

Base Information

• Chemical Name: Fluoromethyl phenyl sulfide
• CAS No.: 60839-94-3
• Molecular Formula: C7H7FS
• Molecular Weight: 142.197
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10415646
• Nikkaji Number: J441.135H
• Wikidata: Q82224601
• Mol file: 60839-94-3.mol

Synonyms:60839-94-3;Fluoromethylphenylsulfide;FLUOROMETHYL PHENYL SULFIDE;fluoromethylsulfanylbenzene;(fluoromethyl)(phenyl)sulfane;[(fluoromethyl)sulfanyl]benzene;ghl.PD_Mitscher_leg0.352;(Fluoromethylthio)benzene;Fluoromethylsulfanyl-benzene;fluoromethyl phenyl sulphide;fluoro-methylsulfanyl-benzene;SCHEMBL775769;DTXSID10415646;ZDJQWFUQFDIBLS-UHFFFAOYSA-N

Chemical Property of Fluoromethyl phenyl sulfide

Chemical Property:

• PSA: 25.30000
• LogP: 2.70570
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.02524956
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCF

Technology Process of Fluoromethyl phenyl sulfide

There total 18 articles about Fluoromethyl phenyl sulfide 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%

methyl-phenyl-thioether (100-68-5) → 2-fluoro-methylthiobenzene (60839-94-3)

Guidance literature:

With diethylamino-sulfur trifluoride; antimony(III) chloride; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1021/jo00067a009

Reference yield: 93.0%

phenylthiomethyl chloride (7205-91-6) → 2-fluoro-methylthiobenzene (60839-94-3)

Guidance literature:

With PEG-200; cesium fluoride; In acetonitrile; at 80 ℃; for 1.75h; Heating;

Reference yield: 88.0%

S-monofluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulphonium tetrafluoroborate + thiophenol (108-98-5) → 2-fluoro-methylthiobenzene (60839-94-3)

Guidance literature:

With caesium carbonate; In acetonitrile; at 20 ℃;

DOI:10.1021/ol702500u

upstream raw materials:

methanol

methyl-phenyl-thioether

N-fluoropyridinium triflate

1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate

Downstream raw materials:

((1-fluoroethyl)sulfinyl)benzene

(fluoromethyl)(imino)(phenyl)-λ⁶-sulfanone

tert-butyl 3-(fluoro(phenylsulfonyl)methylene)azetidine-1-carboxylate

N-(1-(fluoro(phenylsulfonyl)methyl)cyclobutyl)-2-methylpropane-2-sulfinamide

Refernces

• 1、 Furuta, Satoru,Kuroboshi, Manabu,Hiyama, Tamejiro. "Fluoro-Pummerer rearrangement under oxidative desulfurization fluorination conditions. Facile synthesis of oligofluoroalkyl sulfides". . p. 8243 - 8246. Retrieved 1995.
• 2、 Carbonnel, Elodie,Pannecoucke, Xavier,Besset, Tatiana,Jubault, Philippe,Poisson, Thomas. "An electrophilic reagent for the synthesis of OCHFMe-containing molecules". . p. 2491 - 2493. Retrieved 2018.
• 3、 -. "Novel process for synthesizing 2 -fluorocyclopropylamine with high selectivity and asymmetric synthesis". Paragraph 0041-0042; 0045-0046. . Retrieved 2021/10/13.
• 4、 -. "AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF". Paragraph 0225; 0226. . Retrieved 2018/08/29.