1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-

Base Information

• Chemical Name: 1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-
• CAS No.: 175442-52-1
• Molecular Formula: C28H22N6
• Molecular Weight: 442.523
• DSSTox Substance ID: DTXSID20412661
• Nikkaji Number: J1.398.360G
• Wikidata: Q82220158

Synonyms:1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-;175442-52-1;SCHEMBL2453561;DTXSID20412661

Chemical Property of 1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 442.19059473
• Heavy Atom Count: 34
• Complexity: 541

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C=C2)C(N3C=CC(=N3)C4=CC=CC=C4)N5C=CC(=N5)C6=CC=CC=C6

Technology Process of 1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-

There total 6 articles about 1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl- 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%

chloroform (67-66-3,8013-54-5) + 3-phenylpyrazole (2458-26-6) → tris(3-phenylpyrazol-1-yl)methane (175442-52-1)

Guidance literature:

3-phenylpyrazole; With tetrabutylammomium bromide; sodium carbonate; In water;

chloroform; In water; for 3h; Heating;

DOI:10.1016/S0022-328X(00)00290-4

Reference yield:

3-phenylpyrazole (2458-26-6) → tris(3-phenylpyrazol-1-yl)methane (175442-52-1)

Guidance literature:

3-phenylpyrazole; With tetrabutylammomium bromide; sodium carbonate; In chloroform; water; for 72h; Reflux;

With toluene-4-sulfonic acid; In toluene; at 120 ℃; for 24h;

DOI:10.1002/chem.201803067

Reference yield:

[Cd(tris-(3-phenylpyrazolyl)methane)2](BF4)2 → [Cd(tris-(3,5-dimethylpyrazolyl)methane)(tris-(3,5-dimethylpyrazolyl)borate)]BF4 + tris(3-phenylpyrazol-1-yl)methane (175442-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane

2: not given

In dichloromethane;

upstream raw materials:

chloroform

3-phenylpyrazole

Tris(pyrazolyl)methane

tris(3,5-dimethylpyrazolyl)methane

Downstream raw materials:

Cu(I)[(6-aminopyrid-2-yl)methyl]bis(pyrid-2-ylmethyl)amine PF₆

[Cu(tris(2-benzylaminoethyl)amine)(CH₃CN)]PF₆

[(tris(3-Ph-pyrazolyl)methane)Cu(acetonitrile)](PF₆)

tris(3-phenyl-1-pyrazoyl)methanetricarbonylmanganese triflate

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