1-Methylimidazole-d3

Base Information

Chemical Name:1-Methylimidazole-d3
CAS No.:16650-76-3
Molecular Formula:C4H3 D3 N2
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID40462168
Nikkaji Number:J2.191.014G
Mol file:16650-76-3.mol

Synonyms:1-Methylimidazole-d3;16650-76-3;1-Methyl-d3-imidazole;1-(Methyl-d3)-1H-imidazole;1-(trideuteriomethyl)imidazole;1-Methyl-imidazole-d3;1H-Imidazole, 1-(methyl-d3)-;trideuteriomethyl 1h imidazol;1-(?H?)methyl-1H-imidazole;DTXSID40462168;AKOS030241928;AT25694;HY-59137S1;CS-0566635;J-010292

Suppliers and Price of 1-Methylimidazole-d3

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
1-Methylimidazole-d3
5mg
$ 418.00

TRC
1-Methylimidazole-d3
1g
$ 1010.00

Medical Isotopes, Inc.
1-Methyl-d3-imidazole
500 mg
$ 590.00

Total 7 raw suppliers

Chemical Property of 1-Methylimidazole-d3

Chemical Property:

Vapor Pressure:0.501mmHg at 25°C
Refractive Index:1.525
Boiling Point:198.7°C at 760 mmHg
Flash Point:92.2°C
PSA：17.82000
Density:1.03g/cm³
LogP:0.42010
Solubility.:Chloroform, Dichloromethane, Ethyl Acetate, Methanol
XLogP3:-0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:85.071928438
Heavy Atom Count:6
Complexity:44.8

Purity/Quality:

97% ^*data from raw suppliers

1-Methylimidazole-d3 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=CN=C1
Isomeric SMILES:[2H]C([2H])([2H])N1C=CN=C1
General Description 1-Methyl-d3-imidazole, also known as N-Trideuteromethylimidazole or 1-(Methyl-d3)-1H-imidazole, is a deuterated derivative of 1-methylimidazole used as a solvent in high-resolution NMR spectroscopy for analyzing plant cell walls. It is synthesized with a high degree of perdeuteration and, when combined with dimethylsulfoxide-d6, forms an effective solvent system for dissolving nonderivatized cell wall material while preserving its native structure. This deuterated compound enables detailed structural characterization of plant cell walls via 2D NMR techniques, such as HSQC, without the need for derivatization. Its preparation is part of transition-metal-free synthetic approaches, emphasizing cost-effectiveness and efficiency in deuteration processes.

Technology Process of 1-Methylimidazole-d3

There total 3 articles about 1-Methylimidazole-d3 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 288-32-4
1H-imidazole

: 865-50-9
iodomethane-d3

: 16650-76-3
1-Methyl-d3-imidazole

Guidance literature:: 1H-imidazole; With 18-crown-6 ether; potassium tert-butylate; In diethyl ether; for 0.333333h; Inert atmosphere;

iodomethane-d3; In diethyl ether; at 0 ℃; for 4.5h; Inert atmosphere;
DOI:10.1002/jlcr.1884

Reference yield: 66.2%

: 288-32-4
1H-imidazole

: 811-98-3
d⁽⁴⁾-methanol

: 16650-76-3
1-Methyl-d3-imidazole

: 285978-27-0
1-methylimidazole-d₆

Guidance literature:: With tri-n-butyl phosphite; ruthenium trichloride; In 1,4-dioxane; at 200 ℃; for 19h; under 33003.3 Torr;
DOI:10.1002/mrc.2201

Reference yield: 49.0%

: 288-32-4
1H-imidazole

: 811-98-3
d⁽⁴⁾-methanol

: 16650-76-3
1-Methyl-d3-imidazole

Guidance literature:: With tri-n-butyl phosphite; ruthenium trichloride; In 1,4-dioxane; at 200 ℃; for 18h; under 30003 Torr;
DOI:10.1039/b009097m