1-Fluoro-4-(methylsulfinyl)benzene

Base Information

• Chemical Name: 1-Fluoro-4-(methylsulfinyl)benzene
• CAS No.: 658-14-0
• Molecular Formula: C7H7FOS
• Molecular Weight: 158.196
• Hs Code.: 29039990
• DSSTox Substance ID: DTXSID90415886
• Nikkaji Number: J380.973K
• Mol file: 658-14-0.mol

Synonyms:1-FLUORO-4-(METHYLSULFINYL)BENZENE;658-14-0;1-fluoro-4-methylsulfinylbenzene;1-fluoro-4-methanesulfinylbenzene;4-Fluorophenyl methyl sulfoxide;4-Fluorophenylmethylsulfoxide;SCHEMBL444634;Methyl 4-fluorophenyl sulfoxide;DTXSID90415886;PQOHTVHAGPPTEE-UHFFFAOYSA-N;1-fluoro-4-methanesulfinyl benzene;1-Fluoro-4-methanesulfinyl-benzene;MFCD14636188;AKOS013104884;AS-61920;CS-0046847;W16289

Chemical Property of 1-Fluoro-4-(methylsulfinyl)benzene

Chemical Property:

• Boiling Point: 264.9±23.0 °C(Predicted)
• PSA: 36.28000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 2.42880
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.02016418
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

95% ^*data from raw suppliers

1-Fluoro-4-(methylsulfinyl)benzene 99% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)C1=CC=C(C=C1)F

Technology Process of 1-Fluoro-4-(methylsulfinyl)benzene

There total 16 articles about 1-Fluoro-4-(methylsulfinyl)benzene 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: 100.0%

p-fluorothioanisole (371-15-3) → R-(-)-4-fluoro phenyl methyl sulfoxide (658-14-0,139696-90-5)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; for 0.0833333h; chloroperoxidase (CPO), citrate buffer pH 5;

DOI:10.1016/S0957-4166(00)82316-2

Reference yield: 99.0%

p-fluorothioanisole (371-15-3) → 4-fluorophenyl methyl sulfoxide (658-14-0)

Guidance literature:

With [bis(acetoxy)iodo]benzene; Fe^III(5,10,15-triphenylcorrole trianion)(diethyl ether)₂; In d⁽⁴⁾-methanol; water; at 23 ℃; for 2.5h; Reagent/catalyst;

DOI:10.1016/j.ica.2016.07.007

Reference yield: 85.0%

p-fluorothioanisole (371-15-3) → 4-fluorophenyl methyl sulfoxide (658-14-0) + 1-(methylsufonyl)-4-fluorobenzene (455-15-2)

Guidance literature:

With immobilised lipase B from Candida antarctica; urea hydrogen peroxide adduct; ethyl acetate; at 37 ℃; for 2h; chemoselective reaction; Enzymatic reaction;

DOI:10.1039/d0ob01966f

upstream raw materials:

p-fluorothioanisole

methyl-phenyl-thioether

p-FC₆H₄SOCH₂COOH

4-Fluorothiophenol

Downstream raw materials:

1-(methylsufonyl)-4-fluorobenzene

p-fluorothioanisole

(4-fluorophenyl)(imino)(methyl)-λ⁶-sulfanone

C₁₃H₂₂FNOSSi

Refernces

• 1、 So, Hee,Park, Young Jun,Cho, Kyung-Bin,Lee, Yong-Min,Seo, Mi Sook,Cho, Jaeheung,Sarangi, Ritimukta,Nam, Wonwoo. "Spectroscopic characterization and reactivity studies of a mononuclear nonheme Mn(III)-hydroperoxo complex". . p. 12229 - 12232. Retrieved 2014.
• 2、 Taketoshi, Ayako,Concepcion, Patricia,Garcia, Hermenegildo,Corma, Avelino,Haruta, Masatake. "Aerobic oxidation of sulfides to sulfoxides catalyzed by gold/manganese oxides". . p. 1412 - 1418. Retrieved 2013.
• 3、 Liu, Kai-Jian,Wang, Zheng,Lu, Ling-Hui,Chen, Jin-Yang,Zeng, Fei,Lin, Ying-Wu,Cao, Zhong,Yu, Xianyong,He, Wei-Min. "Synergistic cooperative effect of CF3SO2Na and bis(2-butoxyethyl)ether towards selective oxygenation of sulfides with molecular oxygen under visible-light irradiation". supporting information. p. 496 - 500. Retrieved 2021/01/28.
• 4、 Lee, Sunwoo,Park, Jin Kyu. "Sulfoxide and Sulfone Synthesis via Electrochemical Oxidation of Sulfides". . p. 13790 - 13799. Retrieved 2021/10/12.