106776-17-4

Basic information

• Product Name: TRIMETHYL-D9-SULFONIUM IODIDE
• Synonyms: TRIMETHYL-D9-SULFONIUM IODIDE
• CAS NO: 106776-17-4
• Molecular Formula: C₃H₉S*I
• Molecular Weight: 213.13
• Mol File: 106776-17-4.mol

Chemical Properties

• Appearance: /
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Methanol (Slightly), Water (Slightly)
• CAS DataBase Reference: TRIMETHYL-D9-SULFONIUM IODIDE(CAS DataBase Reference)
• NIST Chemistry Reference: TRIMETHYL-D9-SULFONIUM IODIDE(106776-17-4)
• EPA Substance Registry System: TRIMETHYL-D9-SULFONIUM IODIDE(106776-17-4)

Safety Data

• Hazardous Substances Data: 106776-17-4(Hazardous Substances Data)

Usage

Uses

Used in Chemical Research:
TRIMETHYL-D9-SULFONIUM IODIDE is used as a research compound for studying the 2D deuterium NMR of molecular reorientation in onium salts. This application is crucial for understanding the dynamics and structural aspects of these salts, which can be instrumental in the development of new materials and compounds with specific properties.
In the field of chemical research, TRIMETHYL-D9-SULFONIUM IODIDE serves as a valuable tool for scientists to investigate the behavior of onium salts at the molecular level. By employing 2D deuterium NMR spectroscopy, researchers can gain a deeper understanding of the reorientation processes within these compounds, which can lead to advancements in material science and the creation of novel onium salt-based materials with tailored properties for various applications.

Upstream product

• 2181-42-2 trimethylsulphonium iodide 
• 865-50-9 iodomethane-d3 
• 926-09-0 dimethyl sulfide-d6 

Downstream Products

• 1304031-30-8 C₈H₇⁽²⁾H₂NO₃ 
• 1304031-27-3 C₈H₆⁽²⁾H₃NO₃ 
• 1304031-22-8 C₈H₈⁽²⁾HNO₃ 
• 5345-42-6 1-methoxy-3-methyl-2-nitro-benzene 

Relevant articles and documents

The mechanism of the ortho-methylation of nitrobenzenes by dimethylsulfonium methylide

Nitrobenzenes carrying an ortho substituent are selectively methylated at the free ortho position by reaction with dimethylsulfonium methylide. The importance of the ortho substituent is demonstrated by the failure of the methylation of nitrobenzene and 3- and 4-nitroanisole. This is explained by the out-of-plane geometry of the nitro group in the ortho-substituted derivative, which enables a specific interaction between the ylide and the nitro group favourable for attack of the methylide C atom at the neighbouring free ortho position. As shown by appropriate deuterium-labelling studies, the addition is followed by an E1-like β-elimination with displacement of dimethyl sulfide and subsequent protonation of the elimination product. The nucleophilic ortho-methylation of 2-nitroanisole by dimethylsulfonium methylide is explained by a reaction sequence including intermediates A to D. Copyright

A deuterium NMR study of molecular dynamics and geometry in two classes of onium salts: (CH3)3E(+)*X(-) and C6H5M(CH3)3*I(-)

Deuterium NMR measurements are reported for two types of onium salts: (CH3)3E(+)*I(-), where E = O (counterion is BF4(-)), S, Se, or Te, and C6H5M(CH3)3(+)*I(-), where M = N, P, or As.Within each class of compounds the activation energy for rotation of th