20710-47-8

Basic information

• Product Name: IODOMETHANE-13C-D3
• Synonyms: IODOMETHANE-13C-D3;METHYL-13C-D3 IODIDE;METHYL IODIDE (13C, D3);IODOMETHANE-13C, D3, 99 ATOM % 13C, 99.5 ATOM % D;13CD3I;Iodomethane-13C,d3 (Copper Wire Stabilized);13C-Methyl-d3 Iodide;Methane-13C-d3,iodo- (8CI,9CI)
• CAS NO: 20710-47-8
• Molecular Formula: CH₃I
• Molecular Weight: 145.97
• Product Categories: Nitriles;Isotope Labelled Compounds;Miscellaneous Reagents
• Mol File: 20710-47-8.mol

Chemical Properties

• Melting Point: -66.5 °C(lit.)
• Boiling Point: 42 °C(lit.)
• Appearance: /
• Density: 2.340 g/mL at 25 °C
• Vapor Density: 4.89 (vs air)
• Vapor Pressure: 332 mm Hg ( 20 °C)
• Refractive Index: 1.527
• Storage Temp.: Refrigerator
• Solubility: Chloroform, Methanol (Slightly)
• Stability: Light Sensitive, Volatile
• CAS DataBase Reference: IODOMETHANE-13C-D3(CAS DataBase Reference)
• NIST Chemistry Reference: IODOMETHANE-13C-D3(20710-47-8)
• EPA Substance Registry System: IODOMETHANE-13C-D3(20710-47-8)

Safety Data

• Hazard Codes: T
• Statements: 21-23/25-34-40-42/43-53-37/38
• Safety Statements: 26-36/37/39-38-45-36/37
• RIDADR: UN 2644 6.1/PG 1
• WGK Germany: 3
• Hazardous Substances Data: 20710-47-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
IODOMETHANE-13C-D3 is used as a reactant for the preparation of stable isotope-labeled Firocoxib (F356000(M)), which is a selective cyclooxygenase-2 (COX-2) inhibitor. This application is significant in the development of drugs targeting inflammation and pain relief, as it allows for the tracking and analysis of the compound's behavior in biological systems.

InChI:InChI=1/CH3I/c1-2/h1H3/i1+1D3

Upstream product

• 32479-98-4 [¹³C,²H₄]methyl alcohol 

Downstream Products

• 73488-65-0 (methyl-¹³C,D₃)-L-methionine 
• 168416-22-6 <(R,S)-2-<13CD3>>-2,2,6-trimethylcyclohexanone 
• 191669-64-4 4-[(2,2-dideuterio-2-[13C]-1-methyl)ethenyl]-1-cyclohexene-1-carboxaldehyde ethylene ketal 
• 200556-36-1 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone 

Relevant articles and documents

Synthesis of stable isotopically labelled 3-methylfuran-2(5H)-one and the corresponding strigolactones

Conventional synthetic procedures of strigolactones (SLs) involve the independent synthesis of ring ABC and ring D, followed by a coupling of the two fragments. Here we prepared three kinds of stable, isotopically labelled D-ring analogues productively using a facile protocol. Then, a coupling of the D-rings to ring ABC produced three isotope-labelled SL derivatives. Moreover, (+)-D3-2′-epi-1A and (-)-ent-D3-2′-epi-1A with high enantiomeric purity were obtained via chiral resolution. We developed a convenient method to synthesize three kinds of stable, isotopically labelled D-ring analogues for subsequent production of isotope-labelled strigolactones. With this simple and universal method, three labelled 5-deoxystrigols (D3-1, 13C-1 and D313C-1) were synthesized.

A practical laboratory route to the synthesis of trideuteriomethyl-[13C] iodide

A practical synthetic laboratory route for the synthesis of trideuteriomethyl-[13C] iodide (13CD3I) (from tetradeuterio-[13C]-methanol and hydriodic acid) is described. We comment on the experimental protocol, and the use of water as an 'additive' to improve the synthetic yield. Copyright

CLICK-MASS SPECTROMETRY OF ALKYNE-LABELED COMPOUNDS

The present invention relates to specific nitrogen containing compounds of formulas (I), (II) and (IV) of the present invention, which are suitable to be used in a method to detect alkyne group containing organic compounds by mass spectrometry. Furthermore, the present invention relates to methods for the synthesis of these compounds and for the detection of organic compounds containing the specific compounds of the present invention, uses of the compounds in mass spectrometry, for determining enzyme activity or monitoring the lipid metabolism in a cell, and a kit, which contains at least one of these compounds and at least one internal standard.

C13 deuterated methyl telmisartan and preparation method and application thereof

The invention belongs to the field of organic medicinal synthesis, and discloses C13 deuterated methyl telmisartan and a preparation method and application thereof. According to the preparation method, with C13 deuterated methanol as a C13 deuterated raw material, the C13 deuterated telmisartan is synthesized through a four-step reaction. The preparation method comprises the following steps: iodizing the C13 deuterated methanol to obtain C13 deuterated iodomethane; performing a substitution reaction on the C13 deuterated iodomethane and a compound (III) to obtain a compound (IV); performing aSuzuki coupling reaction on the compound (IV) and 2-boro methylbenzoate to obtain a compound (V); performing esterolysis on the compound (V) under an alkaline condition to obtain the C13 deuterated telmisartan. The preparation method is easy and convenient to operate; by the preparation method, a C13 deuterated reagent is saved, the cost is low and purification is easy; a purified product is obtained after rapid preparation and chromatographic purification. A standard deuterated telmisartan substance prepared by the preparation method provided by the invention is high in purity and stable in chemical properties, and can be applied to preparation of an analytical standard substance.

Isotope-labeled methyl ketofuran, intermediate and method for preparing same

The invention discloses isotopically labeled methyl furanone, an intermediate and a preparation method of isotopically labeled methyl furanone. The invention provides isotopically labeled methyl furanone 6. The invention further provides a preparation method of isotopically labeled methyl furanone 6, and the preparation method comprises the following steps: performing removal of a hydroxy protecting group and isomerization reaction on a compound 20 in the presence of an acid. The method provided by the invention comprises short reaction steps, labeling loci are stable, are labeled on a common D ring of a strigolactone type compound family and are successfully butted with ABC rings of strigolactone type compounds to obtain a variety of isotopically labeled strigolactone type compounds with different isotopic abundances which are more than 99% respectively, and the isotopically labeled methyl furanone is applicable to wide substances, is used as an internal source standard matter for GC-MS and LC-MS/MS analysis and has high detection sensitivity and good accuracy, thereby having broad market application prospects.

Large-scale preparation of [13C]methyl phenyl sulfide from [13C]methanol by a one-step process

We have developed a large-scale "one-pot" procedure for the conversion of commercially available [13C]- or [2H3,13C]-methanol to [13C]- or [2H3,13C]methyl phenyl sulfide. [13C]methyl phenyl sulfide is a potentially versatile, chemically stable, and nonvolatile labeling precursor. In addition, we report an efficient method for the oxidation of [13C]methyl phenyl sulfide to [13C]methyl phenyl sulfone. Finally, we have used [13C]methyl phenyl sulfide to produce 13C-labeled methyl iodide, containing exactly one or two deuterons.