4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

Base Information

• Chemical Name: 4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
• CAS No.: 91895-65-7
• Molecular Formula: C15H9ClN4
• Molecular Weight: 280.716
• DSSTox Substance ID: DTXSID80358470
• Wikidata: Q82139064
• ChEMBL ID: CHEMBL1275878

Synonyms:4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline;91895-65-7;CHEMBL1275878;SCHEMBL10847181;DTXSID80358470;TQR0786;VHAHGJBWPVLYCF-UHFFFAOYSA-N;BDBM50330849

Chemical Property of 4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.0515740
• Heavy Atom Count: 20
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4N=C3Cl

Technology Process of 4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

There total 9 articles about 4-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]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: 67.0%

benzaldehyde (100-52-7) + 2‐chloro‐3‐hydrazinylquinoxaline (51347-93-4) → 4-chloro-1-phenyl<1,2,4>triazolo<4,3-a>quinoxaline (91895-65-7)

Guidance literature:

benzaldehyde; 2‐chloro‐3‐hydrazinylquinoxaline; In ethanol; at 20 ℃; for 0.5h;

With [bis(acetoxy)iodo]benzene; In ethanol; at 20 ℃; for 1h;

Reference yield: 51.0%

triethoxymethylbenzene (1663-61-2) + 2‐chloro‐3‐hydrazinylquinoxaline (51347-93-4) → 4-chloro-1-phenyl<1,2,4>triazolo<4,3-a>quinoxaline (91895-65-7)

Guidance literature:

at 100 ℃; for 3h;

DOI:10.1021/jm00170a031

Reference yield:

C25H23ClN6 (97111-34-7,97111-52-9) → 1-butylbenzene (104-51-8) + 4-chloro-1-phenyl<1,2,4>triazolo<4,3-a>quinoxaline (91895-65-7)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; Product distribution; other temperature;

DOI:10.1007/BF00506679

upstream raw materials:

C₂₁H₁₅ClN₆

C₂₅H₂₃ClN₆

triethoxymethylbenzene

2‐chloro‐3‐hydrazinylquinoxaline

Downstream raw materials:

4-diethylamino-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one

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