2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline

Base Information

• Chemical Name: 2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline
• CAS No.: 64802-09-1
• Molecular Formula: C16H11N3
• Molecular Weight: 245.27900
• DSSTox Substance ID: DTXSID70424875
• Nikkaji Number: J2.022.356A
• ChEMBL ID: CHEMBL307392
• Mol file: 64802-09-1.mol

Synonyms:2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline;64802-09-1;1H-Pyrrolo[2,3-b]quinoxaline, 2-phenyl-;BDBM7384;CHEMBL307392;SCHEMBL5942610;DTXSID70424875;2-phenylpyrrolo[2,3-b]quinoxaline

Chemical Property of 2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline

Chemical Property:

• Melting Point: 260 °C (decomp)
• Boiling Point: 511.9±45.0 °C(Predicted)
• PSA: 41.57000
• Density: 1.306±0.06 g/cm3(Predicted)
• LogP: 3.77810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 245.095297364
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N=C3N2

Technology Process of 2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline

There total 18 articles about 2-Phenyl-1H-pyrrolo[2,3-b]quinoxaline 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: 80.0%

4-phenylcyclohex-1-enyl trifluoromethanesulfonate (122948-47-4) + 2,2,2-trifluoro-N-(3-phenylethynyl-quinoxalin-2-yl)-acetamide (676543-67-2) → 2-Phenyl<1H>pyrrolo<2,3-b>quinoxaline (64802-09-1) + 2-phenyl-3-(4-phenyl-cyclohex-1-enyl)-1H-pyrrolo[2,3-b]quinoxaline

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In acetonitrile; at 100 ℃; for 0.3h;

DOI:10.1016/j.tetlet.2004.01.058

Reference yield: 75.0%

m-trifluoromethylphenyl iodide (401-81-0) + 2,2,2-trifluoro-N-(3-phenylethynyl-quinoxalin-2-yl)-acetamide (676543-67-2) → 2-Phenyl<1H>pyrrolo<2,3-b>quinoxaline (64802-09-1) + 2-phenyl-3-(3-trifluoromethyl-phenyl)-1H-pyrrolo[2,3-b]quinoxaline

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In acetonitrile; at 100 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.01.058

Reference yield: 74.0%

phenylacetylene (536-74-3) + 2-bromo-3-trifluoroacetamidoquinoxaline (676543-55-8) → 2-Phenyl<1H>pyrrolo<2,3-b>quinoxaline (64802-09-1)

Guidance literature:

With copper(l) iodide; potassium carbonate; triphenylphosphine; In 1,4-dioxane; at 110 ℃; for 8h;

DOI:10.1055/s-2003-45004

upstream raw materials:

2-methylquinoxaline

benzonitrile

4-styryltetrazolo[1,5-a] quinoxaline

p-nitrobenzene iodide