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1-methyl-4-(pentylsulfonyl)benzene, also known as p-methylpentylsulfonylbenzene, is a chemical compound that belongs to the sulfone family. It has a molecular formula of C11H16O2S and a molecular weight of 212.31 g/mol. This colorless to pale yellow liquid exhibits a strong, aromatic odor and is commonly used in the synthesis of pharmaceuticals and agrochemicals. Its solvent properties also make it a valuable ingredient in various industrial applications. However, it is important to note that 1-methyl-4-(pentylsulfonyl)benzene has moderate toxicity and should be handled with caution.

91764-87-3

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91764-87-3 Usage

Uses

Used in Pharmaceutical Synthesis:
1-methyl-4-(pentylsulfonyl)benzene is used as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicine.
Used in Agrochemical Synthesis:
In the agrochemical industry, 1-methyl-4-(pentylsulfonyl)benzene is utilized as a precursor for the production of various agrochemicals. Its presence in these compounds helps to enhance the effectiveness of pesticides and other agricultural products, promoting more efficient and sustainable farming practices.
Used in Industrial Solvents:
1-methyl-4-(pentylsulfonyl)benzene is used as a solvent in various industrial applications due to its ability to dissolve a wide range of substances. Its solvent properties make it a versatile ingredient in the manufacturing of products such as paints, coatings, and adhesives, improving their performance and durability.
Used in Chemical Research:
As a chemical compound with unique properties, 1-methyl-4-(pentylsulfonyl)benzene is also used in research settings to study its reactivity and potential applications. Researchers explore its interactions with other compounds and investigate its use in the development of new materials and technologies.
It is important to reiterate that due to its moderate toxicity, 1-methyl-4-(pentylsulfonyl)benzene should be handled with care, following proper safety protocols to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 91764-87-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,7,6 and 4 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 91764-87:
(7*9)+(6*1)+(5*7)+(4*6)+(3*4)+(2*8)+(1*7)=163
163 % 10 = 3
So 91764-87-3 is a valid CAS Registry Number.

91764-87-3Downstream Products

91764-87-3Relevant academic research and scientific papers

Multicomponent Reductive Cross-Coupling of an Inorganic Sulfur Dioxide Surrogate: Straightforward Construction of Diversely Functionalized Sulfones

Meng, Yingying,Wang, Ming,Jiang, Xuefeng

supporting information, p. 1346 - 1353 (2019/12/11)

Conventionally, sulfones are prepared by oxidation of sulfides with strong oxidants. Now, a multicomponent reductive cross-coupling involving an inorganic salt (sodium metabisulfite) for the straightforward construction of sulfones is disclosed. Both intramolecular and intermolecular reductive cross-couplings were comprehensively explored, and diverse sulfones were accessible from the corresponding alkyl and aryl halides. Intramolecular cyclic sulfones were systematically obtained from five- to twelve-membered rings. Naturally occurring aliphatic systems, such as steroids, saccharides, and amino acids, were highly compatible with the SO2-insertion reductive cross-coupling. Four clinically applied drug molecules, which include multiple heteroatoms and functional groups with active hydrogens, were successfully prepared via a late-stage SO2 insertion. Mechanistic studies show that alkyl radicals and sulfonyl radicals were both involved as intermediates in this transformation.

Aryl alkyl sulfone compound and reducing coupling method for constructing sulfone compounds

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Paragraph 0157-0161, (2019/12/25)

The invention discloses an aryl alkyl sulfone compound shown as a formula (1) and a synthetic method thereof. The aryl alkyl sulfone compound is prepared by taking an aromatic iodide, an inorganic sulfur reagent and an alkyl bromide as reaction raw materials to carry out reacting in a solvent under action of alkali, a catalyst, a ligand, a reducing agent and an additive. According to the invention, an inorganic sulfur reagent is used as a sulfur source to construct the aryl alkyl sulfone compound in one step under catalysis and reduction conditions, so that the defect in synthesizing the arylalkyl sulfone compound by conventional oxidation of thioether is avoided. The aryl alkyl sulfone compound developed by the invention can be used for synthesizing aryl alkyl sulfone medicines.

Deep Eutectic Solvents as Reaction Media for the Palladium-Catalysed C?S Bond Formation: Scope and Mechanistic Studies

Marset, Xavier,Guillena, Gabriela,Ramón, Diego J.

supporting information, p. 10522 - 10526 (2017/08/10)

A unique jigsaw catalytic system based on deep eutectic solvents and palladium nanoparticles where C?S bonds are formed from aryl boronic acids and sodium metabisulfite, is introduced. The functionalization step is compatible with a broad spectrum of reagents such as nucleophiles, electrophiles or radical scavengers. This versatile approach allows the formation of different types of products in an environmentally friendly medium by selecting the components of the reaction, which engage one with another as pieces in a jigsaw. This simple procedure avoids the use of toxic volatile organic solvents allowing the formation of complex molecules in a one-pot reaction under mild conditions. Despite the fact that only 1 mol % of metal loading is used, the recyclability of the catalytic system is possible. Kinetic experiments were performed and the reaction order for all reagents, catalyst and ligand was determined. The obtained results were compared to palladium nanocrystals of different known shapes in order to shed some light on the properties of the catalyst.

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