1-Methyl-3,5-diphenylpyrazole

Base Information

• Chemical Name: 1-Methyl-3,5-diphenylpyrazole
• CAS No.: 19311-79-6
• Molecular Formula: C16H14N2
• Molecular Weight: 234.301
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60172914
• Nikkaji Number: J371.544B
• Wikidata: Q83042988
• Mol file: 19311-79-6.mol

Synonyms:1-Methyl-3,5-diphenylpyrazole;19311-79-6;1-methyl-3,5-diphenyl-1H-pyrazole;1-Methyl-3,5-diphenyl-pyrazole;SCHEMBL822565;2-methyl-3,5-diphenylpyrazole;1 -methyl-3,5-diphenylpyrazole;1-methyl- 3,5-diphenylpyrazole;DTXSID60172914;SVDTUJAQNAQGGW-UHFFFAOYSA-N;AKOS008956631;1H-pyrazole, 1-methyl-3,5-diphenyl-;FT-0740307;InChI=1/C16H14N2/c1-18-16(14-10-6-3-7-11-14)12-15(17-18)13-8-4-2-5-9-13/h2-12H,1H

Chemical Property of 1-Methyl-3,5-diphenylpyrazole

Chemical Property:

• Vapor Pressure: 7.32E-06mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 387.5 °C at 760 mmHg
• Flash Point: 188.2 °C
• PSA: 17.82000
• Density: 1.06 g/cm³
• LogP: 3.75410
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.115698455
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1-Methyl-3,5-diphenylpyrazole

There total 77 articles about 1-Methyl-3,5-diphenylpyrazole 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: 99.0%

3,5-Diphenylpyrazole (1145-01-3) + methyl iodide (74-88-4) → 1-methyl-3,5-diphenyl-1H-pyrazole (19311-79-6)

Guidance literature:

3,5-Diphenylpyrazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1055/s-0032-1316584

Reference yield: 98.0%

tert-butyl 1-methyl-2-(3-oxo-1,3-diphenylpropylidene)hydrazinecarboxylate (1263324-70-4) → 1-methyl-3,5-diphenyl-1H-pyrazole (19311-79-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2010.11.057

Reference yield: 94.5%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + methylhydrazine (60-34-4) → 1-methyl-3,5-diphenyl-1H-pyrazole (19311-79-6)

Guidance literature:

With pyridine; hydrogenchloride; In water; sodium acetate;

upstream raw materials:

3,5-Diphenylpyrazole

methyl iodide

piperidine

1,2-dimethyl-3,5-diphenyl-1H-pyrazolium methyl sulphate

Downstream raw materials:

1-ethyl-2-methyl-3,5-diphenylpyrazolium ethyl sulfate

1,2-dimethyl-3,5-diphenyl-1H-pyrazolium methyl sulphate

1,2-dimethyl-3,5-diphenylpyrazolium iodide

1,2-dimethyl-3,5-diphenylpyrazolium p-toluene sulfonate

Refernces

• 1、 Kallitsakis, Michael G.,Tancini, Peter D.,Dixit, Mudit,Mpourmpakis, Giannis,Lykakis, Ioannis N.. "Mechanistic Studies on the Michael Addition of Amines and Hydrazines to Nitrostyrenes: Nitroalkane Elimination via a Retro-aza-Henry-Type Process". . p. 1176 - 1184. Retrieved 2018/02/09.
• 2、 Ding, Ya,Zhang, Te,Chen, Qiu-Yun,Zhu, Chunyin. "Visible-light photocatalytic aerobic annulation for the green synthesis of pyrazoles". supporting information. p. 4206 - 4209. Retrieved 2016/09/09.