7252-86-0

Basic information

• Product Name: Benzene,1-(1,1-dimethylethyl)-4-(methylthio)
• Synonyms: Benzene,1-(1,1-dimethylethyl)-4-(methylthio);p-tert-Butylbenzyl mercaptan;4-TERT-BUTYLPHENYLMETHYLSULFIDE;4-(TERT-BUTYL)BENZYL MEREAPLAN
• CAS NO: 7252-86-0
• Molecular Formula: C₁₁H₁₆S
• Molecular Weight: 180.30974
• Mol File: 7252-86-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 247.3 °C at 760 mmHg
• Flash Point: 101.5 °C
• Appearance: /
• Density: 0.96 g/cm³
• Vapor Pressure: 0.0407mmHg at 25°C
• Refractive Index: 1.534
• CAS DataBase Reference: Benzene,1-(1,1-dimethylethyl)-4-(methylthio)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene,1-(1,1-dimethylethyl)-4-(methylthio)(7252-86-0)
• EPA Substance Registry System: Benzene,1-(1,1-dimethylethyl)-4-(methylthio)(7252-86-0)

Safety Data

• Hazardous Substances Data: 7252-86-0(Hazardous Substances Data)

Usage

General Description

Benzene, 1-(1,1-dimethylethyl)-4-(methylthio) is a chemical compound with the molecular formula C13H20S. It is a derivative of benzene, a widely used industrial chemical. This particular compound, also known as 4-tert-butylthioanisole, is a colorless liquid with a strong, unpleasant odor. It is primarily used as a fragrance ingredient in perfumes and cosmetic products. It is also used in the production of flavors, as well as in the synthesis of various organic compounds. In addition, it is important to note that this compound should be handled with care, as it is toxic if ingested and can cause irritation to the respiratory system and skin.

InChI:InChI=1/C11H16S/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3

Upstream product

• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 5188-07-8 sodium thiomethoxide 
• 2432-51-1 ethylthioacetic acid methyl ester 
• 35779-04-5 1-tert-butyl-4-iodobenzene 
• 5271-38-5 2-methylmercapto-ethanol 
• 124-38-9 carbon dioxide 
• 2396-68-1 4-t-butylbenzenethiol 
• 431-47-0 trifluoroacetic acid-methyl ester 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 4210-32-6 4-tert-butyl benzonitrile 
• 4496-49-5 4-tert-butyldiphenylamine 
• 84736-47-0 4-(4-(tert-butyl)phenyl)morpholine 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 214360-66-4 2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 16255-53-1 1-(tert-butyl)-4-thiocyanatobenzene 
• 72373-65-0 1-(tertbutyl)-4-(methylsulfinyl)benzene 
• 4501-47-7 1-(tert-butyl)-4-cyclohexylbenzene 
• 74-87-3 methylene chloride 
• 123159-42-2 C₁₁H₁₆ClOPS 
• 123159-40-0 3,6-Di-tert-butyl-9,10-dithia-4b,9a-diphospha-indeno[1,2-a]indene 
• 253185-03-4 tert-butylbenzene 
• 4132-49-4 p-tert.-Butyl-cumol 
• 58567-80-9 1-(tert-butyl)-4-propylbenzene 

Relevant articles and documents

Nickel-Catalyzed Reversible Functional Group Metathesis between Aryl Nitriles and Aryl Thioethers

We describe a new functional group metathesis between aryl nitriles and aryl thioethers. The catalytic system nickel/dcype is essential to achieve this fully reversible transformation in good to excellent yields. Furthermore, the cyanide- and thiol-free reaction shows high functional group tolerance and great efficiency for the late-stage derivatization of commercial molecules. Finally, synthetic applications demonstrate its versatility and utility in multistep synthesis.

Palladium-catalyzed intermolecular transthioetherification of aryl halides with thioethers and thioesters

Functional group transfer reactions are an important synthetic tool in modern organic synthesis. Herein, we developed a new palladium-catalyzed intermolecular transthioetherification reaction of aryl halides with thioethers and thioesters. The synthetic utility and practicality of this catalytic protocol are demonstrated in a wide range of successful transformations (>70 examples). This catalytic protocol is applicable in carbonylative coupling processes as well, and the first example of carbonylative methylthioesterification of aryl halides has been achieved. Notably, this work also provides an approach to using natural products, such as methionine and selenomethionine, as the functional group sources.

Method for methylation reaction

The invention relates to a method for a methylation reaction. The method is characterized in that a reaction substrate is reacted in an organic solvent in the presence of an alkali with methyl trifluoroacetate as a methylation reagent to obtain a corresponding methylated product. The method is a new methylation method, and has the advantages of cheapness, easiness in operation, mild reaction conditions, wide application range of the substrate, avoiding of dimethyl sulfate, iodomethane and other highly toxic methylation reagents, and obtaining of the methylated product with a high yield.