1,4-Dimethyl-1,2,4-triazolium Iodide TCI D3962

Chemical Identity

CAS No.: 120317-69-3
PubChem: CID 10987916·SID 125307533
Formula: C4H8IN3
Molecular weight: 225.03 g/mol
Purity: >98.0%(HPLC)(T)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 1,4-dimethyl-1,2,4-triazol-4-ium iodide
SMILES: CN1C=[N+](C=N1)C.[I-]
InChIKey: IMFBMMNQDMTHGG-UHFFFAOYSA-M

Rp 1.483.650,00

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1,4-Dimethyl-1,2,4-triazolium iodide is a chemical compound widely used in catalytic reactions and organic chemistry processes. It belongs to the class of carbon-donor ligands and plays a crucial role in facilitating electron transfer and electronic activation in various chemical reactions. This compound is particularly valuable in laboratory settings where precise control over reaction mechanisms is essential. Its heterocyclic structure enhances its reactivity, making it a versatile tool for chemists working on complex synthetic pathways.

The compound is known for its high solubility in organic solvents such as ethyl acetate and dimethyl sulfoxide, which simplifies its use in a wide range of experimental setups. Its stability under normal laboratory conditions ensures consistent performance, reducing the risk of degradation during storage or use. These properties make it a reliable choice for both research and industrial applications, especially in environments where reproducibility and accuracy are paramount.

In Indonesian laboratories, 1,4-Dimethyl-1,2,4-triazolium iodide is commonly used in pure and applied chemistry research. It is a preferred material for academic institutions and research centers that require high-reactivity catalysts or ligands. Its availability and performance make it an essential component in the chemical supply chain, supporting both educational and scientific endeavors in the region.

Advantages (TCI brochure)

Used for chemoselective acylation of alcohols from aldehydes

TCI brochures (PDF)

N-Heterocyclic Carbene (NHC) Organocatalysts 2025-01-16 · p. 2
N-Heterocyclic Carbene (NHC) Ligands and Metal Complexes 2026-02-10 · p. 1
Condensing Agents 2025-11-18 · p. 8
Ligands 2025-12-01 · p. 8

Related TCI products

Catalytic Reactions: This compound is ideal for catalytic processes due to its ability to activate substrates and facilitate electron transfer.
Organic Synthesis: It is frequently used in organic synthesis to enhance reaction efficiency and control reaction pathways.
Ligand Chemistry: Its heterocyclic structure makes it a preferred ligand in coordination chemistry and transition metal complexes.
Electron Transfer Studies: Its role in electron transfer mechanisms makes it valuable in electrochemical and redox studies.
Stability Testing: It is used in stability and degradation studies due to its consistent chemical and physical properties.

From the TCI brochure

Chemoselective acylation of alcohols

Brand	TCI
CAS number	120317-69-3
Molecular formula	—
Purity	—
Category	Chemistry > Catalysis and Inorganic Chemistry > Carbon-Donor Ligands [Catalysis]
Pack sizes	Available in various quantities as per standard laboratory requirements
Physical form	Solid
Storage	Store in a cool, dry place away from moisture and direct sunlight

Data from the TCI brochure

Catalyst loading	2 mol% (DBU (3 mol%), 3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone (1 eq.), THF, rt)

Source: TCI brochure RR060 (2025-01-16)

This compound should be stored in a cool, dry place, away from moisture and direct sunlight to maintain its chemical integrity. It is recommended to use airtight containers to prevent exposure to air and humidity. Due to its chemical nature, it should be handled with appropriate personal protective equipment, such as gloves and safety goggles. Proper ventilation is essential when working with this material to minimize inhalation risks. It is not recommended to store it near incompatible substances to avoid any potential chemical interactions. Regular monitoring of storage conditions ensures optimal performance and safety in laboratory environments.

References cited in the TCI brochure

Suman De Sarkar. NHC Catalyzed Oxidations of Aldehydes to Esters: Chemoselective Acylation of Alcohols in Presence of Amines Journal of the American Chemical Society, 2010. doi:10.1021/ja910540j