3,4,5-Triphenylpyrazole

Base Information

• Chemical Name: 3,4,5-Triphenylpyrazole
• CAS No.: 18076-30-7
• Molecular Formula: C21H16N2
• Molecular Weight: 296.371
• Hs Code.: 2933199090
• NSC Number: 117229
• DSSTox Substance ID: DTXSID50297665
• Nikkaji Number: J45.425G
• Wikidata: Q63409829
• Mol file: 18076-30-7.mol

Synonyms:3,4,5-Triphenylpyrazole;18076-30-7;3,4,5-Triphenyl-1H-pyrazole;NSC 117229;1H-Pyrazole,3,4,5-triphenyl-;NSC117229;3,4,5-triphenyl-1H-pyrazol;SCHEMBL5231898;DTXSID50297665;3,4,5-Triphenyl-1H-pyrazole #;NSC-117229;FT-0712821;SR-01000509415;SR-01000509415-1;Q63409829

Chemical Property of 3,4,5-Triphenylpyrazole

Chemical Property:

• Vapor Pressure: 1.01E-07mmHg at 25°C
• Melting Point: 229-230 °C
• Refractive Index: 1.64
• Boiling Point: 445.8 °C at 760 mmHg
• PKA: 12.98±0.50(Predicted)
• Flash Point: 194.2 °C
• PSA: 28.68000
• Density: 1.153 g/cm³
• LogP: 5.41070
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 296.131348519
• Heavy Atom Count: 23
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-TRIPHENYLPYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(NN=C2C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 3,4,5-Triphenylpyrazole

There total 60 articles about 3,4,5-Triphenylpyrazole 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: 96.0%

3,3,5-triphenyl-3H-pyrazole (24037-48-7) → 3,4,5-triphenylpyrazole (18076-30-7)

Guidance literature:

With air; In chlorobenzene; at 100 ℃; for 2.5h;

DOI:10.1002/chem.201204322

Reference yield: 89.0%

4-acetylamino-3,4,5-triphenyl-4H-pyrazole (222720-56-1) → 3,4,5-triphenylpyrazole (18076-30-7)

Guidance literature:

With zinc; In acetic acid; for 2h; Heating;

Reference yield: 84.0%

2,5,6-triphenyl-6H-[1,3,4]thiadiazine (62625-69-8) → 3,4,5-triphenylpyrazole (18076-30-7)

Guidance literature:

In toluene; at 30 ℃; for 14h; ultrasound;

upstream raw materials:

1,2,3-triphenylpropane-1,3-dione

4-nitro-3,3,5-triphenyl-4,5-dihydro-3H-pyrazole

methyl 3,3,4-triphenyl-3H-pyrazole-5-carboxylate

3,4,5-triphenyl-pyrazole-1-carboxylic acid methyl ester

Downstream raw materials:

4-(4-bromo-phenyl)-3,5-diphenyl-1H-pyrazole

4,4',4''-(1H-pyrazole-3,4,5-triyl)-tris-aniline

bis(3,4,5-triphenylpyrazol-1-yl)diazene

3,4,5-Triphenyl-1H-pyrazol-1-amin

Refernces

• 1、 Vasin,Masterova, Yu.Yu.,Bezrukova,Razin,Somov. "Synthesis of 3H-pyrazoles by reaction of methyl and p-tolyl phenylethynyl sulfones with diphenyldiazomethane and their thermal and acid-catalyzed transformations". . p. 890 - 899. Retrieved 2015.
• 2、 Moritani et al.. "-". . p. 670. Retrieved 1969.
• 3、 Liu, Wenfei,Wang, Han,Zhao, Haiying,Li, Baoguo,Chen, Shufeng. "Y(OTf)3-Catalyzed Cascade Propargylic Substitution/Aza-Meyer-Schuster Rearrangement: Stereoselective Synthesis of α,β-Unsaturated Hydrazones and Their Conversion into Pyrazoles". supporting information. p. 2170 - 2174. Retrieved 2015/09/15.