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1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanyl-benzene is a complex organic compound characterized by its unique molecular structure. 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanyl-benzene consists of a benzene ring with three methyl groups attached at the 1, 3, and 5 positions, and a 2,4,6-trimethylphenyl group connected to the benzene ring through a sulfur atom at the 2 position. The presence of multiple methyl groups in the molecule contributes to its stability and lipophilic nature. 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanyl-benzene is primarily of interest in the field of organic chemistry, as it can be used as a precursor in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure also makes it a potential candidate for studying the effects of steric hindrance and electronic interactions in organic molecules.

5324-71-0

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5324-71-0 Usage

Molecular Structure

A benzene ring with three methyl groups at positions 1, 3, and 5, and a 2-(2,4,6-trimethylphenyl)sulfanyl group attached to the benzene ring.

Functional Groups

Methyl groups, benzene ring, and a sulfanyl group.

Appearance

Colorless to light yellow liquid or solid.

Solubility

Soluble in organic solvents like ethanol, acetone, and diethyl ether.

Boiling Point

High boiling point due to the presence of large molecular structure and multiple methyl groups.

Melting Point

Low to moderate melting point due to the presence of multiple methyl groups.

Density

Higher than water due to the presence of a large molecular structure and multiple methyl groups.

Uses

Commonly used in the production of fragrances and as a stabilizer in the manufacturing of polymers and plastics.

Industrial Applications

Widely used in the chemical, pharmaceutical, and cosmetic industries.

Potential Hazards

Toxic if ingested, inhaled, or absorbed through the skin. May cause irritation to the eyes, skin, and respiratory system.

Safety Precautions

Handle with care, use personal protective equipment (PPE), and store in a well-ventilated area away from heat and open flames.

Environmental Impact

May be harmful to aquatic life and should be disposed of properly according to local regulations.

Stability

Stable under normal temperature and pressure conditions, but can decompose upon exposure to heat or flame.

Reactivity

May react with strong oxidizing agents, acids, and bases.

Check Digit Verification of cas no

The CAS Registry Mumber 5324-71-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,2 and 4 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5324-71:
(6*5)+(5*3)+(4*2)+(3*4)+(2*7)+(1*1)=80
80 % 10 = 0
So 5324-71-0 is a valid CAS Registry Number.

5324-71-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene

1.2 Other means of identification

Product number -
Other names bis(2,4,6-trimethylphenyl)sulfide

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:5324-71-0 SDS

5324-71-0Relevant academic research and scientific papers

Cu(ii)-catalyzed sulfide construction: both aryl groups utilization of intermolecular and intramolecular diaryliodonium salt

Wang, Ming,Wei, Jianpeng,Fan, Qiaoling,Jiang, Xuefeng

supporting information, p. 2918 - 2921 (2017/03/15)

A sulfur-iodine exchange protocol of diaryliodonium salts with inorganic sulfur salt was developed. Both aryl groups in the diaryliodonium salt were fully exerted in this transformation. Five- to eight-membered sulfur-containing heterocycles were achieved. Note that [1]benzothieno-[3,2-b][1]benzothiophene (BTBT) (an organic field-effect transistor (OFET) material) and Zaltoprofen were efficiently established through this method.

Mild synthesis of triarylsulfonium salts with arynes

Zhang, Lei,Li, Xiaojin,Sun, Yan,Zhao, Weizhao,Luo, Fan,Huang, Xin,Lin, Lihui,Yang, Ying,Peng, Bo

supporting information, p. 7181 - 7189 (2017/09/07)

Reactions between arynes and alkyl sulfides have been extensively studied over the past few decades. These reactions commonly end with a dealkylation process and thus deliver thioethers as final products. In contrast, the transformation described furnishes valuable triarylsulfonium salts, in lieu of thioethers, from arynes and diarylsulfides. The reaction features mild conditions and a broad substrate scope. A suite of functional groups such as ketones, esters, nitriles, aryl ethers and aryl halides is tolerated, which can be issues faced by traditional synthetic methods. The practicality of the reaction and its extension to the synthesis of triphenyl selenonium salt are also exhibited herein.

Use of base control to provide high selectivity between diaryl thioether and diaryl disulfide for C-S coupling reactions of aryl halides and sulfur and a mechanistic study

Chen, Hsing-Ying,Peng, Wei-Te,Lee, Ying-Hsien,Chang, Yu-Lun,Chen, Yen-Jen,Lai, Yi-Chun,Jheng, Nai-Yuan,Chen, Hsuan-Ying

supporting information, p. 5514 - 5522 (2013/11/06)

Previous studies have reported that S-arylation produces diaryl disulfide when the precursors include sulfur powder and aryl halide using CuI as the catalyst. However, our research has revealed that the use of different bases in the above S-arylation process results in the coproduction of diarylsulfane and diaryldisulfane. In addition, we have demonstrated that the ratio of the two products can be controlled by selecting the alkalinity of the bases. 1H NMR spectra showed that diaryldisulfane was the first product, which became the reagent in a reaction with aryl halide to form diarylsulfane through CuI catalysis. Various aryl halides were tested to enhance the selectivity between diarylsulfane and diaryldisulfane using various different bases, leading to the following principles. A weak base, such as metal carbonate or acetate, results in the production of only diaryldisulfane; a strong base, such as metal hydroxide, results in the production of both diaryldisulfane and diarylsulfane. According to DFT calculations, hydroxide ions, which were exchanged for iodide and bonded with Cu, affected Cu electrons more strongly to reduce diaryl disulfide.

Cu-catalyzed synthesis of diaryl thioethers and S -cycles by reaction of aryl iodides with carbon disulfide in the presence of DBU

Zhao, Peng,Yin, Hang,Gao, Hongxin,Xi, Chanjuan

, p. 5001 - 5006 (2013/06/27)

Diaryl thioethers and S-cycles were obtained on the basis of the copper-catalyzed reaction of carbon disulfide and aryl iodides in the presence of DBU. This reaction enables the one-pot synthesis of diaryl thioethers by employing cheap, available, and easy-to-handle carbon disulfide with aryl iodides. The reaction was successfully employed in the construction of sulfur-containing cyclic molecules.

Methods for Preparing Diaryl Disulfides

-

Page/Page column 5, (2012/06/30)

New and useful methods for preparing bulky diaryl disulfides from a benzene derivative and sulfur halide are disclosed.

RADIKALIONEN 89. EINELEKTRONEN-OXIDATIONEN VON DIARYLDISULFIDEN MIT AlCl3/H2CCl2

Bock, Hans,Rittmeyer, Peter

, p. 261 - 292 (2007/10/02)

The single electron oxidation of 14 alkyl and alkoxy substituted diaryldisulfides by AlCl3/H2CCl2 has been investigated by ESR/ENDOR spectroscopy.The radical cations observed prove the following skeletal rearrangements: Those with ring hydrogens in ortho positions to the disulfide bridge preferentially form thianthrene derivatives.The isomeric dinaphthyl disulfides react differently, the 2,2'-isomer yielding the dibenzothianthrene radical cation and the 1,1'-isomer the well-known naphthalene-1,8-disulfide radical cation.For all diaryl disulfides with completely alkyl- or methoxy-blocked ortho positions, oxidative desulfuration is observed.As substantiated by additional (2)D and (33)S isotope marking, the bis(2,5-dimethoxyphenyl)disulfide reacts both to the corresponding thianthrene derivative as well as via desulfuration to the radical cation of the monosulfide.Accompanying cyclovoltammetric and photoelectron spectroscopic measurements prove that all ESR spectroscopically detected radical cations result from compounds Ar-S-Ar, Ar-SS-Ar and Ar(S)2Ar with rather low oxidation or ionisation potentials and thus suggest that each the most easily oxidized paramagnetic species is observed in the rather complex product mixtures, which form on AlCl3/H2CCl2 oxidation of diaryldisulfides. Key words: Diaryl disulfides; one-electron oxidation; radical cations; ESR/ENDOR spectra.

Reaction of Simple Arenes with FSO3H*SbF5/SO2: One-Pot Synthesis of Aromatic Sulfoxides. Mechanistic Aspects and Synthetic Utility

Laali, Kenneth Khosrow,Nagvekar, Devdatt S.

, p. 1867 - 1874 (2007/10/02)

In a simple one-pot reaction, mono-, di-, tri-, and polyalkylbenzenes, isomeric alkylhalobenzenes, and fluoro-, (trifluoromethyl)-, and 1,3,5-trifluorobenzene were converted to their corresponding diaryl sulfoxides with FSO3H*SbF5 (1:1) (magic acid)/SO2.Dependency of the yields on the acidity (H0) and the arene structure was demonstrated.Reduction of the formed sulfoxide was also observed as a minor pathway to give diaryl sulfide.The reduction is superacid-catalyzed, and protonated sulfoxides are the key intermediates en route to sulfides.Protonation of several functionalized diaryl sulfoxides was also studied in magic acid/SO2 under stable ion conditions.Unlike the parent diphenyl sulfoxide, which is S-protonated, alkyl-, fluoro-, and trifluoromethyl-substituted diaryl sulfoxides O-protonate to give long-lived sulfoxonium ions.The proposed mechanism for the arene/superacid/SO2 system involves sulfination of the arenium ions, O-protonation of the resulting sulfinic acid, dehydration of the oxonium ion "ArSO+" and arylation.In the absence of SO2, the fluorosulfonation, ionization, arylation path becomes dominant.The scope of the reaction is sufficiently broad to be synthetically useful.The methodology is also applicable to unsymmetrical (mixed) diaryl sulfoxides.

Radical Ions, 81. ENDOR Spectroscopic Investigations of Radical Cations of Aromatic Organosulfur Compounds

Bock, H.,Hierholzer, B.,Rittmeyer, P.

, p. 187 - 204 (2007/10/02)

Conditions for ENDOR measurements of organosulfur radical cations are discussed and tested.The one electron oxidation of a variety of aromatic sulfur compounds comprising benzene-1,2-dithiole, 1,4-dithiine, thianthrene and diphenylsulfide derivatives as well as 33S isotope-marked bis(2,5-dimethoxyphenyl)disulfide is accomplished using the oxygen-free, powerful and selective AlCl3/H2CCl2 reagent.Partly with substantial structural changes, paramagnetic M.+ species of 1,2-benzodithiete, 1,4-dithiine, thianthrene and diphenyl sulfide result.Their temperature-dependent ENDOR signal patterns provide numerous information e.g. on radical cation structure and dynamics, on the rather high sulfur spin populations or on the spin rotation interaction dominated relaxation behaviour.Accordingly, to obtain optimum ENDOR effects in organosulfur radical cations low temperature measurements are required, and especially for still undiscovered 33S ENDOR couplings, small g factor anisotropies and 33S spin densities appear to be necessary. - Keywords: ENDOR (Special, General Triple) Spectra, Temperature Dependence, Organosulfur Radical Cations, Structural Changes, Molecular Dynamics

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