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

Base Information

• Chemical Name: 4-Chloro[1,2,4]triazolo[4,3-a]quinoxaline
• CAS No.: 62603-54-7
• Molecular Formula: C9H5ClN4
• Molecular Weight: 204.619
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80360558
• Nikkaji Number: J2.635.292D
• Wikidata: Q82142359
• Mol file: 62603-54-7.mol

Synonyms:62603-54-7;4-Chloro-[1,2,4]triazolo[4,3-a]quinoxaline;4-chloro[1,2,4]triazolo[4,3-a]quinoxaline;SCHEMBL404496;DTXSID80360558;TQR0782;NLAAGSHTVZHFTR-UHFFFAOYSA-N;HMS1701C21;MFCD00140798;AKOS000301537;4-chloro-s-triazolo[ 4,3-a]quinoxaline;BB 0239195;CS-0226665;4-chloro[1,2,4]triazolo[4,3 a]quinoxaline;9E-902;4-Chloro-[1,2,4]triazolo-[4,3-a]quinoxaline;4-Chloro-[1,2,4]triazolo[4,3-a]-quinoxaline;J-514872;F6548-0156

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

Chemical Property:

• Melting Point: 281-283 °C(Solv: acetonitrile (75-05-8))
• PKA: -0.83±0.40(Predicted)
• PSA: 43.08000
• Density: 1.62g/cm3
• LogP: 1.93090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 204.0202739
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-[1,2,4]triazolo[4,3-a]quinoxaline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(C3=NN=CN23)Cl

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

There total 7 articles about 4-Chloro[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: 94.0%

orthoformic acid triethyl ester (122-51-0) + 2‐chloro‐3‐hydrazinylquinoxaline (51347-93-4) → 4‐chloro[1,2,4]triazolo[4,3‐a]quinoxaline (62603-54-7)

Guidance literature:

at 100 ℃; for 1h;

DOI:10.1021/jm00170a031

Reference yield: 94.0%

→ 4‐chloro[1,2,4]triazolo[4,3‐a]quinoxaline (62603-54-7)

Guidance literature:

Reference yield: 90.0%

[1,2,4] triazolo[4,3-a]quinoxalin-4(5H)-one (29067-87-6) → 4‐chloro[1,2,4]triazolo[4,3‐a]quinoxaline (62603-54-7)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; toluene; for 3h; Reflux;

DOI:10.3390/molecules22020273

upstream raw materials:

orthoformic acid triethyl ester

2‐chloro‐3‐hydrazinylquinoxaline

2,3-dichloroquinoxaline

1,2-diamino-benzene