1,5-Diphenyl-3-methyl-1H-pyrazole

Base Information

• Chemical Name: 1,5-Diphenyl-3-methyl-1H-pyrazole
• CAS No.: 3729-90-6
• Molecular Formula: C16H14 N2
• Molecular Weight: 234.301
• Hs Code.: 2933199090
• ChEMBL ID: CHEMBL1427951
• DSSTox Substance ID: DTXSID90409326
• Nikkaji Number: J1.112.587E
• Wikidata: Q82215113
• Mol file: 3729-90-6.mol

Synonyms:1,5-Diphenyl-3-methyl-1H-pyrazole;3729-90-6;3-methyl-1,5-diphenyl-1H-pyrazole;3-methyl-1,5-diphenylpyrazole;MLS001195291;1,5-Diphenyl-3-methylpyrazole;CHEMBL1427951;SCHEMBL10645870;DTXSID90409326;HMS2814K16;AKOS005379056;SMR000502696

Chemical Property of 1,5-Diphenyl-3-methyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 1.2E-05mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.604
• Boiling Point: 380.4°Cat760mmHg
• PKA: 0.61±0.10(Predicted)
• Flash Point: 183.8°C
• PSA: 17.82000
• Density: 1.06g/cm³
• LogP: 3.84770
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4
• 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:

1,5-Diphenyl-3-methylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3
• Uses: 1,5-Diphenyl-3-methylpyrazole is a useful reagent for the preparation of selanylpyrazoles.

Technology Process of 1,5-Diphenyl-3-methyl-1H-pyrazole

There total 71 articles about 1,5-Diphenyl-3-methyl-1H-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: 99.4%

1-(4-phenylbut-3-en-2-ylidene)-2-phenylhydrazone (22921-89-7) → 3-methyl-1,5-diphenyl-1H-pyrazole (3729-90-6)

Guidance literature:

With thianthrene cation radical perchlorate; In acetonitrile; for 24h;

DOI:10.1021/jo00244a024

Reference yield: 99.0%

phenylhydrazine (100-63-0) + 1-phenylbutan-1,3-dione (93-91-4) → 3-methyl-1,5-diphenyl-1H-pyrazole (3729-90-6)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Heating;

DOI:10.1021/jm990383f

Reference yield: 98.0%

3-methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole (2515-46-0) → 3-methyl-1,5-diphenyl-1H-pyrazole (3729-90-6)

Guidance literature:

With iron(III) chloride; In acetic acid; at 120 ℃; Reagent/catalyst; Solvent; Time; Concentration;

DOI:10.1016/j.catcom.2013.09.002

upstream raw materials:

1-(4-phenylbut-3-en-2-ylidene)-2-phenylhydrazone

1-phenyl-butane-1,3-dione-3-phenylhydrazone

benzoyl chloride

ethanol

Downstream raw materials:

3-methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole

4-chloro-3-methyl-1,5-diphenyl-1H-pyrazole

4-bromo-3-methyl-1,5-diphenyl-1H-pyrazole

1,5-diphenylpyrazole-3-carboxylic acid