38452-49-2

Basic information

• Product Name: 3,4-DIMETHYLPHENYLMETHYLSULFONE
• Synonyms: 3,4-DIMETHYLPHENYLMETHYLSULFONE
• CAS NO: 38452-49-2
• Molecular Formula: C₉H₁₂O₂S
• Molecular Weight: 184.26
• Mol File: 38452-49-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 71-72°C
• Appearance: /
• CAS DataBase Reference: 3,4-DIMETHYLPHENYLMETHYLSULFONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHYLPHENYLMETHYLSULFONE(38452-49-2)
• EPA Substance Registry System: 3,4-DIMETHYLPHENYLMETHYLSULFONE(38452-49-2)

Safety Data

• Hazardous Substances Data: 38452-49-2(Hazardous Substances Data)

Upstream product

• 1125-88-8 benzaldehyde dimethyl acetal 
• 618-01-9 3,4-dimethylbenzenesulfonic acid 
• 95-47-6 o-xylene 
• 42187-27-9 3,4-dimethyl-benzenesulfinic acid 
• 74-88-4 methyl iodide 
• 75-75-2 methanesulfonic acid 
• 7143-01-3 Methanesulfonic anhydride 
• 124-63-0 methanesulfonyl chloride 
• 2905-30-8 3,4-dimethylbenzenesulfonyl chloride 

Downstream Products

• 1802632-22-9 2-(tert-butoxy)-4-(3-methyl-3-(5-(methylsulfonyl)isoindolin-2-yl)butyl)phenol 
• 923001-87-0 1-diazo-1-(3,4-dimethylphenylsulfonyl)-5-hexen-2-one 
• 923001-95-0 (1R,5R)-1-(3,4-dimethylphenylsulfonyl)bicyclo[3.1.0]hexan-2-one 
• 923002-03-3 1-(3,4-dimethylphenylsulfonyl)-5-hexen-2-one 

Relevant articles and documents

Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources

Ni/photoredox catalysis has emerged as a powerful platform for C(sp2)–C(sp3) bond formation. While many of these methods typically employ aryl bromides as the C(sp2) coupling partner, a variety of aliphatic radical sources have been investigated. In principle, these reactions enable access to the same product scaffolds, but it can be hard to discern which method to employ because nonstandardized sets of aryl bromides are used in scope evaluation. Herein, we report a Ni/photoredox-catalyzed (deutero)methylation and alkylation of aryl halides where benzaldehyde di(alkyl) acetals serve as alcohol-derived radical sources. Reaction development, mechanistic studies, and late-stage derivatization of a biologically relevant aryl chloride, fenofibrate, are presented. Then, we describe the integration of data science techniques, including DFT featurization, dimensionality reduction, and hierarchical clustering, to delineate a diverse and succinct collection of aryl bromides that is representative of the chemical space of the substrate class. By superimposing scope examples from published Ni/photoredox methods on this same chemical space, we identify areas of sparse coverage and high versus low average yields, enabling comparisons between prior art and this new method. Additionally, we demonstrate that the systematically selected scope of aryl bromides can be used to quantify population-wide reactivity trends and reveal sources of possible functional group incompatibility with supervised machine learning.

ISOINDOLINE COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE

Isoindoline sigma-2 receptor antagonist compounds, pharmaceutical compositions comprising such compounds, and methods for inhibiting Abeta- associated synapse loss or synaptic dysfunction in neuronal cells, modulating an Abeta-associated membrane trafficking change in neuronal cells, and treating cognitive decline associated with Abeta pathology are provided.

Total Synergistic effect between triflic acid and bismuth(IIIr antimony(III) chlorides in catalysis of the Methanesulfonylation of Arenes

A total synergistic effect between bismuth(III) or antimony(III) chlorides and triflic acid has been observed in the Friedel-Crafts methanesulfonylation of arenes and has resulted in the development of the first efficient catalytic systems usable for the methanesulfonylation of both activated and deactivated arenes. A proposed mechanism to explain the observed effects is also discussed. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.