5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt

Base Information

• Chemical Name: 5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt
• CAS No.: 60418-48-6
• Molecular Formula: C₁₁H₁₀ClN₃
• Molecular Weight: 219.673
• DSSTox Substance ID: DTXSID701150645

Synonyms:DTXSID701150645;5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt;60418-48-6

Chemical Property of 5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 219.0563250
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=[N+]2N1C3=C([N-]2)C=CC(=C3)Cl)C

Technology Process of 5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt

There total 4 articles about 5H-Pyrazolo[1,2-a]benzotriazol-4-ium, 8-chloro-1,3-dimethyl-, inner salt 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: 62.0%

1-(5-chloro-2-nitrophenyl)-3,5-dimethylpyrazole (60418-33-9) → 8-chloro-2-methylpyrazoloquinoxaline (60418-49-7) + 8-chloro-1,3-dimethyl-5H-pyrazolo<1,2-a>benzotriazol-4-ium inner salt (60418-48-6) + 1-(2-amino-5-chlorophenyl)-3,5-dimethylpyrazole (60450-52-4)

Guidance literature:

With triethyl phosphite; In various solvent(s); for 72h; Product distribution; Heating; other solvents;

DOI:10.1039/P19800000982

Reference yield: 39.0%

1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole (60418-40-8) → 8-chloro-2-methylpyrazoloquinoxaline (60418-49-7) + 8-chloro-1,3-dimethyl-5H-pyrazolo<1,2-a>benzotriazol-4-ium inner salt (60418-48-6) + 1-(2-amino-5-chlorophenyl)-3,5-dimethylpyrazole (60450-52-4)

Guidance literature:

With pyrene; In dichloromethane; Irradiation;

DOI:10.1039/P19800000982

Reference yield: 5.0%

1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole (60418-40-8) → 2,2'-bis(3,5-dimethylpyrazolyl)-4,4'-dichloroazobenzene (134817-11-1) + 8-chloro-1,3-dimethyl-5H-pyrazolo<1,2-a>benzotriazol-4-ium inner salt (60418-48-6)

Guidance literature:

In acetonitrile; at 17 ℃; for 0.666667h; Irradiation;

upstream raw materials:

1-(2-azido-5-chlorophenyl)-3,5-dimethylpyrazole

1-(5-chloro-2-nitrophenyl)-3,5-dimethylpyrazole

Downstream raw materials:

8-chloro-2-methylpyrazoloquinoxaline

1-(2-amino-5-chlorophenyl)-3,5-dimethylpyrazole

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