4166-68-1

Basic information

• Product Name: 1-METHYLIMIDAZOLE-D3 (RING-D3)
• Synonyms: 1-METHYLIMIDAZOLE-D3 (RING-D3)
• CAS NO: 4166-68-1
• Molecular Formula: C₄H₆N₂
• Molecular Weight: 85.1237
• Mol File: 4166-68-1.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Dichloromethane (Slightly)
• CAS DataBase Reference: 1-METHYLIMIDAZOLE-D3 (RING-D3)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYLIMIDAZOLE-D3 (RING-D3)(4166-68-1)
• EPA Substance Registry System: 1-METHYLIMIDAZOLE-D3 (RING-D3)(4166-68-1)

Safety Data

• Hazardous Substances Data: 4166-68-1(Hazardous Substances Data)

Usage

Description

1-METHYLIMIDAZOLE-D3 (RING-D3) is a isotopically labeled research compound that is used for various applications in scientific research and development.

Uses

Used in Scientific Research:
1-METHYLIMIDAZOLE-D3 (RING-D3) is used as a research compound for [application reason]. It is utilized in various scientific studies and experiments to understand its properties and potential applications.
Used in Chemical Synthesis:
1-METHYLIMIDAZOLE-D3 (RING-D3) is used as a chemical intermediate for [application reason]. It can be used in the synthesis of other compounds and materials, contributing to the development of new products and technologies.
Used in Pharmaceutical Industry:
1-METHYLIMIDAZOLE-D3 (RING-D3) is used as a pharmaceutical compound for [application reason]. It may have potential applications in drug discovery and development, as well as in the study of biological processes and mechanisms.
Used in Analytical Chemistry:
1-METHYLIMIDAZOLE-D3 (RING-D3) is used as an analytical reagent for [application reason]. It can be employed in various analytical techniques to detect, quantify, or characterize specific substances or compounds.
Used in Environmental Studies:
1-METHYLIMIDAZOLE-D3 (RING-D3) is used as an environmental tracer for [application reason]. It can be utilized to track and study the behavior of substances in the environment, providing valuable insights into environmental processes and pollution control.

Upstream product

• 616-47-7 1-methyl-1H-imidazole 

Downstream Products

• 175885-11-7 Fe(2,6-diisopropylbenzenethiolate)(1-methylimidazole-2,4,5-d3)2 

Relevant articles and documents

Facile H/D exchange at (hetero)aromatic hydrocarbons catalyzed by a stable trans-dihydride n-heterocyclic carbene (NHC) iron complex

Earth-abundant metal pincer complexes have played an important role in homogeneous catalysis during the last ten years. Yet, despite intense research efforts, the synthesis of iron PCcarbeneP pincer complexes has so far remained elusive. Here we report the synthesis of the first PCNHCP functionalized iron complex [(PCNHCP)FeCl2] (1) and the reactivity of the corresponding trans-dihydride iron(II) dinitrogen complex [(PCNHCP)- Fe(H)2N2)] (2). Complex 2 is stable under an atmosphere of N2 and is highly active for hydrogen isotope exchange at (hetero)aromatic hydrocarbons under mild conditions (50 °C, N2). With benzene-d6 as the deuterium source, easily reducible functional groups such as esters and amides are well tolerated, contributing to the overall wide substrate scope (e.g., halides, ethers, and amines). DFT studies suggest a complex assisted σ-bond metathesis pathway for C(sp2)-H bond activation, which is further discussed in this study.

METHOD FOR PRODUCING COMPOUND HAVING DEUTERATED AROMATIC RING OR HETEROCYCLIC RING

A method for producing a compound having a deuterated aromatic ring or heterocyclic ring according to the invention includes heating a compound having an aromatic ring or heterocyclic ring in the presence of heavy water, a transition metal and a metal which generates deuterium. As the metal which generates deuterium, at least one metal selected from the group consisting of aluminum, magnesium, zinc, iron, lead and tin is preferred. As the transition metal, at least one metal selected from the group consisting of platinum, palladium, ruthenium and rhodium is preferred. The heating is preferably carried out by microwave irradiation.

METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING

The present invention relates to a method for deuteration of a heterocyclic ring, which comprises subjecting a compound having a heterocyclic ring to sealed refluxing state in a deuterated solvent in the presence of an activated catalyst selected form a palladium catalyst, a platinum catalyst, a rhodium catalyst, a ruthenium catalyst, a nickel catalyst and a cobalt catalyst. In accordance with a method of the present invention, a hydrogen atom belonging to a heterocyclic ring of a compound having a heterocyclic ring can be very efficiently deuterated because temperature of deuteration reaction can be maintained at higher than boiling point of the solvent. Further, a method for deuteration of the present invention can be applied widely to deuteration of various compounds having a heterocyclic ring which are liable to decomposition under supercritical conditions or acidic conditions, leading to industrial and efficient deuteration of a compound having a heterocyclic ring.