4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole

Base Information

• Chemical Name: 4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole
• CAS No.: 61355-01-9
• Molecular Formula: C₁₆H₁₃ClN₂
• Molecular Weight: 268.746
• DSSTox Substance ID: DTXSID90488338

Synonyms:4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole;61355-01-9;DTXSID90488338

Chemical Property of 4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 268.0767261
• Heavy Atom Count: 19
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3)Cl

Technology Process of 4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole

There total 1 articles about 4-Chloro-4-methyl-3,5-diphenyl-4H-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:

→ 4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole (61355-01-9)

Guidance literature:

aus entspr. Pyrazol und tert-Butylhypochlorit oder Cl2;

DOI:10.1021/jo00421a044

Reference yield:

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + 4-Chloro-4-methyl-3,5-diphenyl-4H-pyrazole (61355-01-9) → syn-8-Chloro-8-methyl-(1α,4α,4aα,7aα)-4,4a,7,7a-tetrahydro-1,4-diphenyl-1,4-methano-1H-cyclopentapyridazine + anti-8-Chloro-8-methyl-(1α,4α,4aα,7aα)-4,4a,7,7a-tetrahydro-1,4-diphenyl-1,4-methano-1H-cyclopentapyridazine

Guidance literature:

trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00102a036

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