3795-79-7

Basic information

• Product Name: methyl 4-methylsulfanylbenzoate
• Synonyms: methyl 4-methylsulfanylbenzoate;Methyl p-(Methoxycarbonyl)phenyl Sulfide
• CAS NO: 3795-79-7
• Molecular Formula: C₉H₁₀O₂S
• Molecular Weight: 182.24
• Product Categories: Metal Isotopes;Sulfur & Selenium Compounds
• Mol File: 3795-79-7.mol
• Article Data: 37

Chemical Properties

• Melting Point: 79-81°C
• Boiling Point: 279.1 °C at 760 mmHg
• Flash Point: 128.8 °C
• Appearance: White Solid
• Density: 1.16 g/cm³
• Vapor Pressure: 0.0041mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: -20°C Freezer
• Stability: Store in Freezer, Sensitive to Oxidation
• CAS DataBase Reference: methyl 4-methylsulfanylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-methylsulfanylbenzoate(3795-79-7)
• EPA Substance Registry System: methyl 4-methylsulfanylbenzoate(3795-79-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 3795-79-7(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

methyl 4-methylsulfanylbenzoate canbe used as a useful synthetic intermediate.

InChI:InChI=1/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 13205-48-6 4-(methylthio)benzoic acid 
• 201230-82-2 carbon monoxide 
• 104-95-0 (4-bromophenyl)thioanisole 
• 67-56-1 methanol 
• 81104-42-9 4-methylsulfanyl-benzoic acid hydrazide 
• 1074-36-8 4-mercaptobenzoic acid 
• 616-38-6 carbonic acid dimethyl ester 
• 3446-90-0 4-(methylthio)benzyl alcohol 
• 74-88-4 methyl iodide 
• 624-92-0 Dimethyldisulphide 
• 99768-12-4 4-methoxycarbonylphenylboronic acid 
• 619-44-3 methyl 4-iodobenzoate 
• 6018-41-3 methyl coumalate 

Downstream Products

• 171364-80-0 methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
• 93303-91-4 4-Methanesulfinyl-benzoic acid methyl ester 
• 6302-65-4 methyl 4-mercaptobenzoate 
• 98-86-2 acetophenone 
• 61372-43-8 C₁₆H₁₇NO₄S₂ 
• 114129-35-0 methyl 4-(methylsulfinyl)benzoate 
• 22821-70-1 methyl 4-(methanesulfonyl)benzoate 
• 81104-42-9 4-methylsulfanyl-benzoic acid hydrazide 
• 82955-01-9 2-(4'-methylthiophenyl)propan-2-ol 
• 301699-27-4 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone 
• 93-58-3 benzoic acid methyl ester 
• 181696-11-7 4-[5-methyl-4-(4-pyridyl)isoxazol-3-yl]thioanisole 
• 181697-16-5 1-(4-thiomethylphenyl)-2-(4-pyridyl)-ethan-1-one oxime 

Relevant articles and documents

Paired Electrolysis Enabled Ni-Catalyzed Unconventional Cascade Reductive Thiolation Using Sulfinates

Herein, we have reported a nickel-catalyzed cascade reductive thiolation of aryl halides with sulfinates driven by paired electrolysis. This protocol uses sulfinates as the sulfur source, and various thioethers could be synthesized under mild conditions. By mechanism exploration, we find that a cascade chemical step is allowed on the electrode interface and could alter the reaction pathway in paired electrolysis, whose findings could help the discovery of novel cascade reactions with unique reactivity.

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 Chlorocarbonylation of Aryl (Pseudo)Halides Through In Situ Generation of Carbon Monoxide

An efficient palladium-catalyzed chlorocarbonylation of aryl (pseudo)halides that gives access to a wide range of carboxylic acid derivatives has been developed. The use of butyryl chloride as a combined CO and Cl source eludes the need for toxic, gaseous carbon monoxide, thus facilitating the synthesis of high-value products from readily available aryl (pseudo)halides. The combination of palladium(0), Xantphos, and an amine base is essential to promote this broadly applicable catalytic reaction. Overall, this reaction provides access to a great variety of carbonyl-containing products through in situ transformation of the generated aroyl chloride. Combined experimental and computational studies support a reaction mechanism involving in situ generation of CO.