Imidazole-15N2

Base Information

• Chemical Name: Imidazole-15N2
• CAS No.: 74362-46-2
• Molecular Formula: C₃H₄N₂
• Molecular Weight: 70.0648
• European Community (EC) Number: 694-719-2
• DSSTox Substance ID: DTXSID20583906
• Wikidata: Q82475517
• Mol file: 74362-46-2.mol

Synonyms:Imidazole-15N2;74362-46-2;(1,3-15N2)1H-imidazole;DTXSID20583906;(~15~N_2_)-1H-Imidazole;AKOS015913067;Imidazole-15N2, 98 atom % 15N, 98% (CP)

Chemical Property of Imidazole-15N2

Chemical Property:

• Melting Point: 89-91 °C
• Refractive Index: 1.528
• Boiling Point: 256 °C
• Flash Point: >230 °F
• PSA: 28.68000
• Density: 1.116 g/cm³
• LogP: 0.40970
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 70.03151792
• Heavy Atom Count: 5
• Complexity: 28.1

Purity/Quality:

99.90% ^*data from raw suppliers

Imidazole-15N2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 22-34-61
• Safety Statements: 22-26-36/37/39-45-53

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CN1
• Isomeric SMILES: C1=C[15N]=C[15NH]1
• Uses: A labelled imidazole, a versatile heterocycle used in the preparation of various biologically active compounds such as the amino acid histidine and is present in many antifungal medication. It is also used extensively as a corrosion inhibitor on transition metals such as copper.

Technology Process of Imidazole-15N2

There total 1 articles about Imidazole-15N2 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: 53.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) → 15N2-imidazole (74362-46-2)

Guidance literature:

With hydrogenchloride; ammonium-¹⁵N hydrochloride; In water; at 95 ℃; for 1.5h;

DOI:10.1016/S0009-2614(00)01117-9

Reference yield:

2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride (4330-21-6) + 15N2-imidazole (74362-46-2) → 3,5-di-O-p-toluoyl-1,2-dideoxy-β-1-([1,3-(15)N2]imidazol-1-yl)-D-ribofuranose (1224452-99-6)

Guidance literature:

[¹⁵N₂]imidazole; With sodium hydride; In acetonitrile; mineral oil; for 0.5h;

2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride; In acetonitrile; mineral oil; for 3h;

DOI:10.1038/nchem.512

upstream raw materials:

formaldehyd

Glyoxal

Downstream raw materials:

3,5-di-O-p-toluoyl-1,2-dideoxy-β-1-([1,3-(15)N2]imidazol-1-yl)-D-ribofuranose

Refernces

• 1、 Salnikov, Oleg G.,Chukanov, Nikita V.,Svyatova, Alexandra,Trofimov, Ivan A.,Kabir, Mohammad S. H.,Gelovani, Juri G.,Kovtunov, Kirill V.,Koptyug, Igor V.,Chekmenev, Eduard Y.. "15N NMR Hyperpolarization of Radiosensitizing Antibiotic Nimorazole by Reversible Parahydrogen Exchange in Microtesla Magnetic Fields". . p. 2406 - 2413. Retrieved 2021.
• 2、 Alei, M.,Morgan, L. O.,Wageman, W. E.,Whaley, T. W.. "pH Dependence of 15N NMR Shifts and Coupling Constants in Aqueous Imidazole and 1-Methylimidazole. Comments on Estimation of Tautomeric Equilibrium Constants for Aqueous Histidine". . p. 2881 - 2887. Retrieved 1980.