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(Butyl)(p-tolyl) sulfide, with the molecular formula C10H15S, is a type of sulfide, which is an organic compound containing sulfur. This specific sulfide consists of four carbon atoms, one sulfur atom, and a p-tolyl group, which is a substituent of toluene. It is a colorless to light yellow liquid with a strong odor and is known for its potential health hazards, such as skin and eye irritation and respiratory issues. (Butyl)(p-tolyl) sulfide is an important and versatile chemical compound with a wide range of industrial and pharmaceutical applications.

21784-96-3

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21784-96-3 Usage

Uses

Used in Pharmaceutical Industry:
(Butyl)(p-tolyl) sulfide is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the synthesis of different drugs, contributing to the development of new medications.
Used in Agrochemical Industry:
In the agrochemical industry, (Butyl)(p-tolyl) sulfide is utilized as a synthetic intermediate for the creation of various agrochemicals. Its properties make it suitable for use in the development of pesticides, herbicides, and other agricultural products to enhance crop protection and yield.
Used in Dye Industry:
(Butyl)(p-tolyl) sulfide is employed as a synthetic intermediate in the production of dyes. Its chemical structure plays a crucial role in the synthesis of a wide range of dyes used in various industries, such as textiles, plastics, and printing.
Used in Rubber Chemicals Production:
(Butyl)(p-tolyl) sulfide is used as a component in the production of rubber chemicals. Its properties make it an essential ingredient in the development of additives and other chemicals that improve the performance and durability of rubber products.
Used in Lubricants Production:
In the lubricants industry, (Butyl)(p-tolyl) sulfide is utilized in the production of various lubricants. Its unique chemical structure contributes to the development of high-quality lubricants that are used in various applications, such as automotive, industrial, and marine.
Overall, (Butyl)(p-tolyl) sulfide is a versatile and essential chemical compound with numerous applications across different industries, including pharmaceuticals, agrochemicals, dyes, rubber chemicals, and lubricants. Its unique properties and potential health hazards make it a compound of interest for further research and development in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 21784-96-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,7,8 and 4 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 21784-96:
(7*2)+(6*1)+(5*7)+(4*8)+(3*4)+(2*9)+(1*6)=123
123 % 10 = 3
So 21784-96-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H16S/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3

21784-96-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Methyl-1-(1-thiapentyl)benzene

1.2 Other means of identification

Product number -
Other names 1-(butylsulfanyl)-4-methylbenzene

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:21784-96-3 SDS

21784-96-3Relevant academic research and scientific papers

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.

Nickel-Catalyzed Reductive Thiolation of Unactivated Alkyl Bromides and Arenesulfonyl Cyanides

Rao, Weidong,Wang, Fei,Wang, Shun-Yi

, p. 8970 - 8979 (2021/07/19)

The cross-electrophile coupling between unactivated alkyl bromides with arenesulfonyl cyanides catalyzed by Ni(acac)2under reductive conditions to form unsymmetrical sulfides is developed. This approach for sulfide synthesis is practical, relies on available, unfunctionalized materials such as alkyl (pseudo)halides, and is scalable. This catalytic strategy provides a complementary method for the preparation of unsymmetrical alkyl-aryl sulfides under mild conditions with good functional group tolerance.

Exploration of the mechanism and scope of the CuI/DABCO catalysed C–S coupling reaction

Thomas, Anns Maria,Sherin,Asha, Sujatha,Manojkumar,Anilkumar, Gopinathan

supporting information, (2019/12/26)

A cost effective and easily available CuI/DABCO catalytic system has been developed for the C–S cross-coupling reaction. This method is extremely useful for the thioetherification of aryl and heteroaryl halides, providing excellent yields and good chemoselectivity. We have also explored the mechanism of the reaction using DFT studies.

Synthesis method of thioether compounds

-

Paragraph 0067-0071, (2019/08/02)

The invention discloses a synthesis method of thioether compounds. The method comprises steps as follows: phosphorus trichloride and a solvent with uniformly distributed sulfoxide compounds are mixeduniformly, after mixing, the mixture is subjected to a reaction at the temperature of 20-25 DEG C for 0.5-6 h, and the thioether compounds are obtained, wherein the solvent is acetonitrile. Compared with the prior art, the synthesis method has the advantages that raw materials are cheap and easy to obtain, a reducer is cheap and easy to obtain and store, and a series of thioether compounds can beobtained.

Ullmann-type: N-arylation of anilines with alkyl(aryl)sulfonium salts

Tian, Ze-Yu,Zhang, Cheng-Pan

supporting information, p. 11936 - 11939 (2019/10/11)

A palladium/copper-cocatalyzed Ullmann-type N-arylation of anilines using alkyl(aryl)sulfonium triflates as arylation reagents has been accomplished. The reaction enabled Caryl-S bond cleavage over Calkyl-S bond breakage of alkyl(aryl)sulfoniums by Pd(P(tBu)3)2/CuI and gave the corresponding N-arylated products in good to high yields. It was also significant that the reactions of aniline with asymmetric butyl(mesityl)(aryl)sulfonium triflates showed excellent selectivity, in which the aryl groups other than the bulky and electron-rich mesityl moieties were transformed.

Deoxygenation of sulphoxides to sulphides with trichlorophosphane

Zhao, Xia,Zheng, Xiancai,Yang, Bo,Sheng, Jianqiao,Lu, Kui

, p. 1200 - 1204 (2018/02/21)

An efficient route to deoxygenation of sulphoxides to sulphides with PCl3 under mild reaction condition was developed. PCl3 was used as a reducing agent for the first time to convert sulphoxides to sulphides. The mild conditions, use of cheap and readily available reagent, and broad substrate scope render it a useful strategy for preparing sulphides.

C-S cross-coupling of aryl halides with alkyl thiols catalyzed by in-situ generated nickel(II) N-heterocyclic carbene complexes

Guo, Fang-Jie,Sun, Jing,Xu, Zhao-Qing,Kühn, Fritz E.,Zang, Shu-Liang,Zhou, Ming-Dong

, p. 11 - 14 (2017/03/24)

The C-S cross-coupling of aryl halides with alkyl thiols catalyzed by in-situ generated Ni (II) N-heterocyclic carbene (NHC) complexes is investigated. Good to excellent yields can be obtained for a variety of aryl halides when using 5 mol% of the Ni (II)-NHC catalyst and 1.5 eq. of KOtBu. Both the electronic and steric effects of the NHC ligands on the catalytic performance of Ni (II)-NHC, as well as the electronic effects of aryl halides on coupling reactivity are examined. The mechanism for Ni (II)-NHC catalyzed coupling reactions is also discussed.

Benign and efficient preparation of thioethers by solvent-free S-alkylation of thiols with alkyl halides catalyzed by potassium fluoride on alumina

Nguyen, Kha Ngoc,Duus, Fritz,Luu, Thi Xuan Thi

, p. 349 - 360 (2016/06/01)

The preparation of thioethers by S-alkylation of various thiols with alkyl halides under solvent-free reaction conditions using potassium fluoride on alumina (KF/Al2O3) as a solid catalyst has been investigated in detail with respect to three different modes of reaction activation (ultrasound irradiation, microwave irradiation, and conventional heating) for obtaining maximum yield of the thioether. The importance of KF/Al2O3 as a particularly efficient catalyst was corroborated for all three modes of reaction activation, although the reaction time was found to be strongly dependent on the mode of activation. The yield of the thioethers was also found to depend on the amount of the solid catalyst relative to the equimolar amounts of the two reactants.

Efficient reduction of sulfoxides with NaHSO3 catalyzed by I2

Abbasi, Mohammad,Mohammadizadeh, Mohammad Reza,Moradi, Zahra

, p. 6610 - 6613 (2015/11/09)

An efficient method for the deoxygenation of sulfoxides into their corresponding sulfides at room temperature using NaHSO3 in the presence of catalytic I2 has been reported.

A general and inexpensive protocol for the Cu-catalyzed C-S cross-coupling reaction between aryl halides and thiols

Thomas, Anns Maria,Asha, Sujatha,Sindhu,Anilkumar, Gopinathan

supporting information, p. 6560 - 6564 (2015/11/09)

A cost effective and easily available CuI/DABCO catalytic system has been developed for C-S cross-coupling reaction. This method is extremely useful for the thioetherification of aryl and heteroaryl halides providing excellent yields and good chemoselectivity.

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