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Dibenzyl sulphide is a colorless crystalline solid, which may appear as plates or pale beige in color. It is characterized by an unpleasant or crippling stench. This organic compound is known for its beige crystals or powder form and is utilized in various applications across different industries due to its unique chemical properties.

538-74-9

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538-74-9 Usage

Uses

Used in Organic Synthesis:
Dibenzyl sulphide is used as an intermediate in the field of organic synthesis for the production of various organic compounds. Its chemical structure allows it to be a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. Dibenzyl sulphide's reactivity and stability make it a valuable asset in creating a wide range of products.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Dibenzyl sulphide is used as a key component in the development of new drugs. Its unique properties enable it to interact with biological targets, potentially leading to the discovery of novel therapeutic agents. Additionally, it may be employed in the formulation of drug delivery systems to improve the bioavailability and efficacy of existing medications.
Used in Agrochemical Industry:
Dibenzyl sulphide also finds application in the agrochemical industry, where it is used as a starting material for the synthesis of various pesticides and insecticides. Its chemical properties make it suitable for the development of compounds that can effectively control pests and diseases in agriculture, thereby contributing to increased crop yields and food security.
Used in Fragrance Industry:
Given its distinct smell, Dibenzyl sulphide can be utilized in the fragrance industry as a component in the creation of various scent profiles. Its unique odor can be blended with other compounds to develop new and innovative fragrances for the perfume, cosmetics, and personal care markets.
Used in Chemical Research:
Dibenzyl sulphide serves as a valuable research tool in the field of chemistry. It is used in various experimental setups to study reaction mechanisms, test hypotheses, and develop new methodologies. Its availability and reactivity make it an attractive candidate for researchers looking to explore new avenues in chemical science.

Synthesis Reference(s)

Canadian Journal of Chemistry, 53, p. 1480, 1975 DOI: 10.1139/v75-205Tetrahedron Letters, 27, p. 1073, 1986 DOI: 10.1016/S0040-4039(86)80051-X

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Organosulfides, such as Dibenzyl sulphide, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.

Fire Hazard

Dibenzyl sulphide is combustible.

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofSOx.

Purification Methods

Crystallise the sulfide from EtOH/water (10:1), or repeatedly from Et2O. It has also been purified by chromatography on Al2O3 (pentane as eluent), then recrystallised from EtOH [Kice & Bowers J Am Chem Soc 84 2390 1962]. Dry it in a vacuum at 30o over P2O5, fused under nitrogen and re-dried. [Beilstein 6 IV 2649.]

Check Digit Verification of cas no

The CAS Registry Mumber 538-74-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,3 and 8 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 538-74:
(5*5)+(4*3)+(3*8)+(2*7)+(1*4)=79
79 % 10 = 9
So 538-74-9 is a valid CAS Registry Number.
InChI:InChI=1/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

538-74-9 Well-known Company Product Price

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  • Alfa Aesar

  • (B22337)  Dibenzyl sulfide, 99%   

  • 538-74-9

  • 25g

  • 304.0CNY

  • Detail
  • Alfa Aesar

  • (B22337)  Dibenzyl sulfide, 99%   

  • 538-74-9

  • 100g

  • 694.0CNY

  • Detail
  • Aldrich

  • (33820)  Dibenzylsulfide  ≥95.0% (HPLC)

  • 538-74-9

  • 33820-100G-F

  • 600.21CNY

  • Detail

538-74-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Dibenzyl sulphide

1.2 Other means of identification

Product number -
Other names benzylsulfanylmethylbenzene

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:538-74-9 SDS

538-74-9Relevant academic research and scientific papers

Copper based on diaminonaphthalene-coated magnetic nanoparticles as robust catalysts for catalytic oxidation reactions and C-S cross-coupling reactions

Yarmohammadi, Nasrin,Ghadermazi, Mohammad,Mozafari, Roya

, p. 9366 - 9380 (2021/03/16)

In this work, the immobilization of copper(ii) on the surface of 1,8-diaminonaphthalene (DAN)-coated magnetic nanoparticles provides a highly active catalyst for the oxidation reaction of sulfides to sulfoxides and the oxidative coupling of thiols to disulfides using hydrogen peroxide (H2O2). This catalyst was also applied for the one-pot synthesis of symmetrical sulfidesviathe reaction of aryl halides with thiourea as the sulfur source in the presence of NaOH instead of former strongly basic and harsh reaction conditions. Under optimum conditions, the synthesis yields of sulfoxides, symmetrical sulfides, and disulfides were about 99%, 95%, and 96% respectively with highest selectivity. The heterogeneous copper-based catalyst has advantages such as the easy recyclability of the catalyst, the easy separation of the product and the less wastage of products during the separation of the catalyst. This heterogeneous nanocatalyst was characterized by FESEM, FT-IR, VSM, XRD, EDX, ICP and TGA. Furthermore, the recycled catalyst can be reused for several runs and is economically effective.

Methods, Syntheses and Characterization of Diaryl, Aryl Benzyl, and Dibenzyl Sulfides

Zhou, Wen-Yan,Chen, Min,Zhang, Pei-Zhi,Jia, Ai-Quan,Zhang, Qian-Feng

, p. 301 - 310 (2020/09/07)

Twenty-four aryl benzyl sulfides, diaryl sulfides and dibenzyl sulfides were synthesized by four methods and characterized by 1H NMR, FT-IR and Gas chromatography. The reaction conditions of different synthesis methods were studied from the aspects of time, solvent, base and dispersant. The molecular structures of benzylphenyl sulfide (2S), (4-tert-butylbenzyl)(4-methylphenyl) sulfide (4S), (4-methylbenzyl)(4-methylphenyl) sulfide (9S), di(4-methylphenyl) sulfide (11S), (3,5-dimethylphenyl)(4-methyl phenyl) sulfide (15S), and dibenzyl sulfide (19S) [22] have been determined by single-crystal X-ray crystallography. Compounds 2S and 15S crystallize in the monoclinic space group P21/c, with a = 12.278(3), b = 15.894(3), c = 5.6056(11) ?, β = 94.532(2)°, and Z = 4 for 2S, and a = 9.800(9), b = 7.950(7), c = 16.690(15) ?, β = 100.890(12)°, and Z = 4 for 15S. The unit cell of 4S has a triclinic Pī symmetry with the cell parameters a = 6.0436(10), b = 8.7871(14), c = 15.535(2) ?, α = 81.921(2)°, β = 81.977(2)°, γ = 80.889(2)°, and Z = 2. Compounds 9S and 11S both crystallize in the orthorhombic space group P212121, with a = 6.188(3), b = 8.041(4), c = 26.005(14) ?, and Z = 4 for 9S, and a = 5.835(2), b = 8.010(3), c = 25.131(9) ?, and Z = 4 for 11S. Graphic Abstract: Twenty-four aryl sulfide compounds with different substituents were synthesized and characterized, and the molecular structures of six different sulfide compounds have been determined by single-crystal X-ray crystallography.[Figure not available: see fulltext.]

Oxygen-to-Oxygen Silyl Migration of α-Siloxy Sulfoxides and Oxidation-Triggered Allicin Formation

Kelly, Shane S.,Shen, Tun-Li,Xian, Ming

supporting information, p. 3741 - 3745 (2021/05/10)

Oxidation of α-siloxy thioethers leads to the formation of the corresponding sulfoxides as unstable intermediates, which undergo an intramolecular oxygen-to-oxygen silyl migration to break the C-S linkage. This process produces silyl protected sulfenic acids and subsequently thiosulfinates. It was used to develop oxidation-triggered allicin donors.

Clean protocol for deoxygenation of epoxides to alkenes: Via catalytic hydrogenation using gold

Fiorio, Jhonatan L.,Rossi, Liane M.

, p. 312 - 318 (2021/01/29)

The epoxidation of olefin as a strategy to protect carbon-carbon double bonds is a well-known procedure in organic synthesis, however the reverse reaction, deprotection/deoxygenation of epoxides is much less developed, despite its potential utility for the synthesis of substituted olefins. Here, we disclose a clean protocol for the selective deprotection of epoxides, by combining commercially available organophosphorus ligands and gold nanoparticles (Au NP). Besides being successfully applied in the deoxygenation of epoxides, the discovered catalytic system also enables the selective reduction N-oxides and sulfoxides using molecular hydrogen as reductant. The Au NP catalyst combined with triethylphosphite P(OEt)3 is remarkably more reactive than solely Au NPs. The method is not only a complementary Au-catalyzed reductive reaction under mild conditions, but also an effective procedure for selective reductions of a wide range of valuable molecules that would be either synthetically inconvenient or even difficult to access by alternative synthetic protocols or by using classical transition metal catalysts. This journal is

N-bromosuccinimide/HCl mediated reduction of sulfoxides to sulfides

Wang, Jianqiang,Shi, Fangmin,Dai, Dongyan,Xiong, Liping,Yang, Yongpo

supporting information, p. 439 - 443 (2021/02/03)

An efficient reduction of sulfoxides to sulfides mediated by N-bromosuccinimide (NBS)/HCl system has been developed. This protocol shows good functional group compatibility as well as broad substrates scope with operational simplicity.

Scalable electrochemical reduction of sulfoxides to sulfides

Kong, Zhenshuo,Pan, Chao,Li, Ming,Wen, Lirong,Guo, Weisi

supporting information, p. 2773 - 2777 (2021/04/21)

A scalable reduction of sulfoxides to sulfides in a sustainable way remains an unmet challenge. This report discloses an electrochemical reduction of sulfoxides on a large scale (>10 g) under mild reaction conditions. Sulfoxides are activated using a substoichiometric amount of the Lewis acid AlCl3, which could be regeneratedviaa combination of inexpensive aluminum anode with chloride anion. This deoxygenation process features a broad substrate scope, including acid-labile substrates and drug molecules.

Heterogeneously Ni-Pd nanoparticle-catalyzed base-free formal C-S bond metathesis of thiols

Mitamura, Kanju,Yatabe, Takafumi,Yamamoto, Kidai,Yabe, Tomohiro,Suzuki, Kosuke,Yamaguchi, Kazuya

supporting information, p. 3749 - 3752 (2021/04/21)

This study rationally designed a heterogeneously catalyzed system (i.e., using Ni-Pd alloy nanoparticles supported on hydroxyapatite (Ni-Pd/HAP) under an H2atmosphere) achieving an efficient base-free formal C-S bond metathesis of various thiolsviasuppression of the Ni catalysis deactivation.

One-Pot Synthesis of Thiocarbamates

Barther, Dennis,Malliaridou, Triantafillia,Meier, Michael A. R.,Moatsou, Dafni,Waibel, Kevin A.

supporting information, p. 4508 - 4516 (2021/08/30)

An efficient isocyanide-based synthesis of S-thiocarbamates was discovered and thoroughly investigated. The new reaction protocol is a one-pot procedure and allows the direct conversion of N-formamides into thiocarbamates by initial dehydration with p-toluene sulfonyl chloride to the respective isocyanide and subsequent addition of a sulfoxide component. Contrary to recent literature, which also uses isocyanides as starting material, but with other sulfur reagents than sulfoxides, in this protocol, no isolation and purification of the isocyanide component is necessary, thus significantly decreasing the environmental impact and increasing the efficiency of the synthesis. The new protocol was applied to synthesize a library of sixteen thiocarbamates, applying four N-formamides and four commercially available sulfoxides. Furthermore, experiments were conducted to investigate the reaction mechanism. Finally, four norbornene-based thiocarbamate monomers were prepared and applied in controlled ring-opening metathesis polymerization (ROMP) reactions. The polymers were characterized by size-exclusion chromatography (SEC) and their properties were investigated utilizing differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA).

Photocatalytic synthesis method of aryl thioether and derivatives thereof

-

Paragraph 0080; 0081; 0082; 0083, (2021/04/03)

The invention belongs to the field of organic synthesis, and particularly relates to a photocatalytic synthesis method of aryl thioether and derivatives thereof. The synthesis method comprises the steps: dissolving an N-(sulfanyl) amide compound into a methyl aromatic compound under the protection of inert gas, and thus obtaining the aryl thioether compound under the action of light, a catalyst, aligand and alkali. According to the method, the coupling reaction of a C-S bond is completed through visible light induction by utilizing a light/Ni dual-catalytic system, so that the method has goodfunctional group compatibility, and the C-S bond compound can be selectively and efficiently constructed in one step. The method has the advantages of simple catalytic system, mild reaction conditions, economical, simple and easily available substrate, simple reaction operation and the like.

Synthesis method of dibenzyl sulfide

-

Paragraph 0008-0012, (2021/02/06)

As an important organic intermediate and a synthesis reagent, an organic sulfur compound also has unique pharmacological effects of resisting tumors, inflammation, bacteria and oxidation, preventing aging, preventing and treating cardiovascular diseases and the like. The patent develops a method for synthesizing dibenzyl sulfide without metal catalysis. In an acetonitrile solution, benzyl trifluoromethanesulfonic acid quaternary ammonium salt and sodium sulfide nonahydrate are used to synthesize dibenzyl sulfide in a wide substrate range with good to excellent yield through breakage of a carbon-nitrogen bond and generation of a carbon-sulfur bond. The method has the advantages of mild reaction conditions, simple operation, no metal, high yield, wide substrate applicability and the like.

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