N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

Base Information

• Chemical Name: N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
• CAS No.: 91147-43-2
• Molecular Formula: C₁₁H₁₁N₅
• Molecular Weight: 213.242
• UNII: 5K3E87REH7
• DSSTox Substance ID: DTXSID00436663
• Wikidata: Q82251944
• ChEMBL ID: CHEMBL49395
• Mol file: 91147-43-2.mol

Synonyms:91147-43-2;N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-6-QUINOXALINAMINE;Desbromobrimonidine;6-Quinoxalinamine, N-(4,5-dihydro-1H-imidazol-2-yl)-;CHEMBL49395;5K3E87REH7;N-(Imidazolidin-2-ylidene)quinoxalin-6-amine;UK41511;N-(Quinoxalin-6-yl)imidazolidin-2-imine;UK-41511;Imidazolidin-2-ylidene-quinoxalin-6-yl-amine;Brimonidine impurity II;Brimonidine EP Impurity A;D0N7UE;UNII-5K3E87REH7;SCHEMBL679239;LCZC1080;SCHEMBL12860178;DTXSID00436663;BDBM50213029;Brimonidine tartrate impurity A [EP];AKOS030240596;BS-52045;PD185843;E78619;EN300-245756;BRIMONIDINE TARTRATE IMPURITY A [EP IMPURITY];Z1509302451;B2694-467706;Desbromo Brimonidine;N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine

Chemical Property of N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

Chemical Property:

• Melting Point: >210°C (dec.)
• Boiling Point: 393.9±45.0 °C(Predicted)
• PKA: 8.36±0.10(Predicted)
• PSA: 62.20000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 0.83830
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Sonicated)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.10144537
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

> 95% ^*data from raw suppliers

DesbromoBrimonidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)NC2=CC3=NC=CN=C3C=C2
• Uses: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine is an analogue of Brimonidine (B677520), a α2-Adrenoceptor agonist and antiglaucoma agent.

Technology Process of N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

There total 1 articles about N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine 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: 75.3%

6-aminoquinoxaline (6298-37-9) + tert-butyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate (184367-27-9) → UK-41511 (91147-43-2)

Guidance literature:

In acetic acid; at 70 ℃; for 26h;

upstream raw materials:

6-aminoquinoxaline

tert-butyl 2-(methylthio)-4,5-dihydro-1H-imidazole-1-carboxylate

Refernces