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"Benzene, [(S)-(phenylmethyl)sulfinyl]-" is a chiral organic compound with the chemical formula C13H12SO. It is a derivative of benzene, featuring a sulfinyl group (-SO) attached to the phenylmethyl group. The compound exhibits stereochemistry, with the (S)-configuration indicating the spatial arrangement of the sulfinyl group relative to the phenyl ring. Benzene, [(S)-(phenylmethyl)sulfinyl]- is of interest in organic chemistry and pharmaceutical research due to its potential applications in the synthesis of chiral molecules and as a building block for more complex structures. It is also known for its potential use in the development of new drugs and agrochemicals, given its unique structural features and reactivity.

7417-81-4

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7417-81-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7417-81-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,4,1 and 7 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 7417-81:
(6*7)+(5*4)+(4*1)+(3*7)+(2*8)+(1*1)=104
104 % 10 = 4
So 7417-81-4 is a valid CAS Registry Number.

7417-81-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name [(S)-phenylsulfinyl]methylbenzene

1.2 Other means of identification

Product number -
Other names benzyl-phenyl-sulfoxide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7417-81-4 SDS

7417-81-4Relevant academic research and scientific papers

Chiral Ligands in Hypervalent Iodine Compounds: Synthesis and Structures of Binaphthyl-Based λ3-Iodanes

Zhang, Huaiyuan,Cormanich, Rodrigo A.,Wirth, Thomas

supporting information, (2021/12/22)

Several novel binaphthyl-based chiral hypervalent iodine(III) reagents have been prepared and structurally analysed. Various asymmetric oxidative reactions were applied to evaluate the reactivities and stereoselectivities of those reagents. Moderate to excellent yields were observed; however, very low stereoselectivities were obtained. NMR experiments indicated that these reagents are very easily hydrolysed in either chloroform or DMSO solvents leading to the limited stereoselectivities. It is concluded that the use of chiral ligands is an unsuccessful way to prepare efficient stereoselective iodine(III) reagents.

Deep eutectic solvent-assisted synthesis of highly efficient nanocatalyst (n-TiO2@TDI@DES (ZnCl2:urea)) for chemoselective oxidation of sulfides to sulfoxides

Taghavi, Shaghayegh,Amoozadeh, Ali,Nemati, Firouzeh

, (2020/12/21)

This study proposed a straightforward process to synthesize 2,4-toluene diisocyanate (TDI)-functionalized TiO2 nanoparticles in which a cost-effective linker (TDI) with high reactivity was employed to couple nano-TiO2 through covalent bonding to a deep eutectic solvent (DES). By this method, DES was successfully immobilized on the TiO2@TDI surface as an adsorbent and stabilizer. The structural, morphological, and physicochemical characteristics of the synthesized nanocatalysts were evaluated using various analytical methods including Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscopy equipped with energy-dispersive X-ray spectroscopy (SEM–EDX), and elemental analysis. The heterogeneity of the catalyst was also examined by a hot filtration test. The obtained TiO2@TDI@DES nanoparticles offered superior catalytic behavior and excellent yield as well as recyclability for the chemoselective oxidation of sulfide into sulfoxide using a green oxidant (hydrogen peroxide). This catalyst exhibited excellent reusability as it can be recovered for six successive cycles with no significant leach or reduction of catalytic efficiency.

Green synthesis of gold nanoparticles (Au NPs) using Tribulus terrestris extract: Investigation of its catalytic activity in the oxidation of sulfides to sulfoxides and study of its anti-acute leukemia activity

Ahmed, Ahmed Ezzat,El-kott, Attalla,Khames, Ahmed,Zein, Mohamed Abdellatif,Zhao, Peng

, (2021/07/16)

With regards to applied, facile, green chemical research, a bio-inspired approach is being reported for the synthesis of Au NPs by using Tribulus terrestris extract. The innate oxygenated phytochemicals facilitated the green reduction of Au3+ ions to corresponding NPs and also stabilized them by encapsulating them. This modification prevented the as-synthesized Au NPs towards agglomeration and tiny NPs were obtained in uniformly spherical in shape and in the range of 10–15 nm dimension. Physicochemical characteristics of the green synthesized Au NPs were evaluated by advanced physicochemical techniques like UV–Vis and FT-IR spectroscopy, SEM, TEM, EDX and XRD study. Catalytic performance of the biomolecule functionalized Au NPs was investigated in the controlled and selective oxidation of sulfides to sulfoxides using hydrogen peroxide as green oxidant at room temperature. Aromatic, aliphatic and heterocyclic sulfides were oxidized to their corresponding sulfoxides with high yields without formation of over oxidized sulfones. The catalyst was easily recovered and recycled for 8 successive times without noticeable decrease in catalytic activity. In addition, the biosynthesized Au NPs indicated suitable antioxidant and anti-acute leukemia properties against THP-1 cell line. Tribulus terrestris extract and the green synthesized Au NPs exhibited a maximum DPPH scavenging activity of 78% and 29.37%, respectively. Again, in the anticancer studies over THP-1 cell line following MTT assay, the Au NP exhibited gradual reduced % cell viability with increase in its concentration. At an Au NPs concentration of 2000 μg/mL, the % toxicity became maximum suggesting efficient inhibition of cancer invasion. Based on the above results, Au NPs-Tribulus could be administered as a potential anti-leukemia drug for the treatment of acute leukemia following the clinical trial studies in humans.

Green synthesis of Cu/Fe3O4nanocomposite using Calendula extract and evaluation of its catalytic activity for chemoselective oxidation of sulfides to sulfoxides with aqueous hydrogen peroxide

Ansari, Siddique Akber,Elgorban, Abdallah M.,Marraiki, Najat,Syed, Asad

, (2021/10/04)

Plant mediated biogenic synthesizednanoparticles have beenquite familiar as next generation prospective catalysts. In this work, we have demonstrated copper nanoparticles (Cu NP) immobilized magnetic Fe3O4 nanoparticles using Calendu

Catalyst-free visible light-mediated selective oxidation of sulfides into sulfoxides under clean conditions

Fan, Qiangwen,Zhu, Longwei,Li, Xuhuai,Ren, Huijun,Wu, Guorong,Zhu, Haibo,Sun, Wuji

supporting information, p. 7945 - 7949 (2021/11/01)

A facile and efficient visible-light-mediated method for directly converting sulfides into sulfoxides under clean conditions without using any photocatalysts is reported. This method exhibited favourable compatibility with functional groups and afforded a series of sulfoxides with high selectivity and yields. Moreover, in order to shed more light on such a transformation, detailed mechanism studies were carried out both experimentally and theoretically. The readily accessible, low-cost and eco-friendly nature of the developed method will endow it with attractive applications in chemical synthesis.

Aerobic photoxidation of sulfides using unique hybrid polyoxometalate under visible light

Karimian, Davud,Zangi, Fatemeh

, (2021/01/26)

A unique hybrid Polyoxometalate was synthesized, which can absorb visible light and perform photocatalytic activity. This Organic-Inorganic hybrid material was synthesized through attaching the organotin compound to the vacant polyoxometalate. Interesting

Efficient Synthesis of Sulfur-Stereogenic Sulfoximines via Ru(II)-Catalyzed Enantioselective C-H Functionalization Enabled by Chiral Carboxylic Acid

Zhou, Tao,Qian, Pu-Fan,Li, Jun-Yi,Zhou, Yi-Bo,Li, Hao-Chen,Chen, Hao-Yu,Shi, Bing-Feng

supporting information, p. 6810 - 6816 (2021/05/29)

Ru(II)-catalyzed enantioselective C-H functionalization involving an enantiodetermining C-H cleavage step remains undeveloped. Here we describe a Ru(II)-catalyzed enantioselective C-H activation/annulation of sulfoximines with α-carbonyl sulfoxonium ylides using a novel class of chiral binaphthyl monocarboxylic acids as chiral ligands, which can be easily and modularly prepared from 1,1′-binaphthyl-2,2′-dicarboxylic acid. A broad range of sulfur-stereogenic sulfoximines were prepared in high yields with excellent enantioselectivities (up to 99% yield and 99% ee) via desymmetrization, kinetic resolution, and parallel kinetic resolution. Furthermore, the resolution products can be easily transformed to chiral sulfoxides and key intermediates for kinase inhibitors.

New oxovanadium and dioxomolybdenum complexes as catalysts for sulfoxidation: experimental and theoretical investigations of E and Z isomers of ONO tridentate Schiff base ligand

Behjatmanesh-Ardakani, Reza,Fallah-Mehrjardi, Mehdi,Kargar, Hadi,Moghimi, Atefeh,Munawar, Khurram Shahzad,Rudbari, Hadi Amiri

, (2021/06/23)

A new ONO-tridentate Schiff base ligand (H2L) derived by the condensation of nicotinic hydrazide with 5-chlorosalicylaldehyde has been prepared and characterized by combustion analysis (CHN), FT-IR and multinuclear (1H and 13C) NMR spectroscopy. The crystalline nature and molecular structure of the ligand were confirmed by single-crystal X-ray diffraction analysis. Furthermore, the optimized structural parameters of the four possible configurations of the ligand including Z and E stereoisomers each containing two tautomeric forms (enol and keto) have also been investigated. The theoretical parameters were calculated by performing the DFT method using the B3LYP/Def2-TZVP level of theory. In addition to this, dioxomolybdenum(VI) (MoO2L) and oxovanadium(V) (VOL) complexes with the entitled Schiff base ligand have also been prepared and characterized by different techniques. Then, the catalytic efficiencies of synthesized VOL and MoO2L complexes were also explored for the oxidation of sulfides using 30% aqueous H2O2 as a source of oxygen. These homogeneous catalysts showed excellent catalytic activities in the oxidation of both aromatic and aliphatic sulfides.

Alloxan-catalyzed biomimetic oxidations with hydrogen peroxide or molecular oxygen

Zhang, Shiqi,Li, Guangxun,Li, Ling,Deng, Xiongfei,Zhao, Gang,Cui, Xin,Tang, Zhuo

, p. 245 - 252 (2019/12/24)

Inspired by biological flavin catalysis, the nonionic alloxan derivatives were applied as the biomimetic catalysts for various oxidations, catalyzing oxidations of sulfides and amines with hydrogen peroxide or molecular oxygen under mild conditions with high yields in a short time. The whole catalytic cycle has been verified to be a biomimetic approach through the formation of the alloxan hydroperoxide reactive intermediate. Additionally, encouraging asymmetric catalytic results have been obtained with an easily prepared chiral alloxan in a sulfoxidation reaction.

Continuous bioinspired oxidation of sulfides

Crociani, Letizia,Mangiavacchi, Francesca,Marini, Francesca,Sancineto, Luca,Santi, Claudio

, (2020/07/02)

A simple, efficient, and selective oxidation under flow conditions of sulfides into their corresponding sulfoxides and sulfones is reported herein, using as a catalyst perselenic acid generated in situ by the oxidation of selenium (IV) oxide in a diluted aqueous solution of hydrogen peroxide as the final oxidant. The scope of the proposed methodology was investigated using aryl alkyl sulfides, aryl vinyl sulfides, and dialkyl sulfides as substrates, evidencing, in general, a good applicability. The scaled-up synthesis of (methylsulfonyl)benzene was also demonstrated, leading to its gram-scale preparation.

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