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Iodomethane-d3丨CAS 865-50-9

Iodomethane-d3丨CAS 865-50-9
Product Introduction:
CAS No.: 865-50-9
Product Name: Iodomethane-d3
Molecular Formula: CH3I
Molecular Weight: 144.957
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Technical Parameters
Description

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Iodomethane-d3, also known as methyl-d3 iodide or deuterated methyl iodide, is an isotopically labeled organic halide in which the three hydrogen atoms of the methyl group are replaced by deuterium. Its reactive carbon–iodine bond makes it a valuable methylating reagent for introducing a deuterated methyl group into suitable organic molecules. This compound is widely relevant to isotope-labeling research, organic synthesis, pharmaceutical development, and analytical chemistry.

 

Chemical Identifiers

 

InChI InChI=1S/CH3I/c1-2/h1H3/i1D3
InChI Key INQOMBQAUSQDDS-FIBGUPNXSA-N
Smiles [2H]C([2H])([2H])I
EC No. 212-744-5
MDL No. MFCD00001074
PubChem CID 2723978

 

 

 

Applications

 

Isotope Effect and Mechanistic Studies

The replacement of hydrogen with deuterium can influence certain reaction rates and molecular properties. Iodomethane-d3 provides a defined source of a deuterated methyl group for investigating kinetic isotope effects, reaction mechanisms, and pathways involving methyl transfer.

Pharmaceutical Research and Drug Discovery

Deuterium incorporation is an important strategy in medicinal chemistry for preparing isotopically modified analogues and investigating their properties. Iodomethane-d3 can serve as a reagent for synthesizing deuterated pharmaceutical intermediates and research compounds, enabling the study of structure–activity relationships and the effects of isotopic substitution.

Organic Synthesis and Deuterated Methylation

Iodomethane-d3 is used as a deuterated methylating reagent in suitable chemical reactions. It can introduce a CD3 group into nucleophilic sites, including certain oxygen-, nitrogen-, and sulfur-containing functional groups, depending on the substrate and reaction conditions. This capability supports the synthesis of isotopically labeled organic compounds and specialized chemical intermediates.

Analytical Chemistry and Reference Standards

Deuterium-labeled compounds can be useful in analytical method development, particularly when preparing isotopically labeled analogues for mass spectrometry workflows. Iodomethane-d3 may support the synthesis of labeled analytical reference materials and research compounds when a CD3 group is required. Its suitability depends on the target analyte and analytical method.

 

 

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