5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole

Base Information

• Chemical Name: 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole
• CAS No.: 120068-80-6
• Molecular Formula: C₁₁H₅Cl₂F₃N₄O
• Molecular Weight: 337.088
• DSSTox Substance ID: DTXSID901137295
• Mol file: 120068-80-6.mol

Synonyms:5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole;5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-1H-pyrazole-3-carbonitrile;120068-80-6;SCHEMBL2003583;DTXSID901137295;DB-185645

Chemical Property of 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 335.9792507
• Heavy Atom Count: 21
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)N2C(=CC(=N2)C#N)N)Cl)OC(F)(F)F

Technology Process of 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole

There total 3 articles about 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)pyrazole 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:

ethyl 2,3-dicyanopropanoate (40497-11-8) → 5-amino-3-Cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)-pyrazole (120068-80-6)

Guidance literature:

With sulfuric acid; sodium nitrite; at 15 ℃; for 1h;

2,6-Dichloro-4-trifluoromethoxyaniline; In acetic acid; at 20 - 50 ℃; for 1h;

ethyl 2,3-dicyanopropanoate; With ammonia; more than 3 stages;

Reference yield:

2,6-Dichloro-4-trifluoromethoxyaniline (99479-66-0) + ethyl 2,3-dicyanopropanoate (40497-11-8) → 5-amino-3-Cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)-pyrazole (120068-80-6)

Guidance literature:

2,6-Dichloro-4-trifluoromethoxyaniline; With sulfuric acid; acetic acid; sodium nitrite; In water; at 15 - 50 ℃; for 1h;

ethyl 2,3-dicyanopropanoate; With acetic acid; In water; at 20 ℃;

With ammonia; In water;

Reference yield:

→ 5-amino-3-Cyano-1-(2,6-dichloro-4-trifluoromethoxyphenyl)-pyrazole (120068-80-6)

Guidance literature:

upstream raw materials:

ethyl 2,3-dicyanopropanoate

2,6-Dichloro-4-trifluoromethoxyaniline

Downstream raw materials:

5-amino-1-(2,6-dichloro-4-[trifluoromethoxy]phenyl)-4-iodo-1H-pyrazole-3-carbonitrile

Refernces

• 1、 -. "Substituted arylpyrazoles". Page/Page column 31. . Retrieved 2008/06/13.
• 2、 -. "Derivatives of N-phenylpyrazoles". . . Retrieved 2008/06/13.