1,3-Diphenyl-5-(4-methoxyphenyl)-1H-pyrazole

Base Information

• Chemical Name: 1,3-Diphenyl-5-(4-methoxyphenyl)-1H-pyrazole
• CAS No.: 27301-46-8
• Molecular Formula: C22H18 N2 O
• Molecular Weight: 326.398
• Hs Code.: 2933199090
• ChEMBL ID: CHEMBL3309807
• DSSTox Substance ID: DTXSID90561337
• Nikkaji Number: J1.834.529C
• Wikidata: Q82445094
• Mol file: 27301-46-8.mol

Synonyms:1,3-Diphenyl-5-(4-methoxyphenyl)-1H-pyrazole;27301-46-8;CHEMBL3309807;5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole;5-(4-METHOXYPHENYL)-1,3-DIPHENYLPYRAZOLE;DTXSID90561337;BDBM50045455

Chemical Property of 1,3-Diphenyl-5-(4-methoxyphenyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 507.5°Cat760mmHg
• Flash Point: 260.7°C
• PSA: 27.05000
• Density: 1.11g/cm³
• LogP: 5.21490
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 326.141913202
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIPHENYL-5-(4-METHOXYPHENYL)-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 1,3-Diphenyl-5-(4-methoxyphenyl)-1H-pyrazole

There total 30 articles about 1,3-Diphenyl-5-(4-methoxyphenyl)-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: 98.0%

5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole (2574-33-6) → 5-(4-Methoxy-phenyl)-1,3-diphenyl-1H-pyrazole (27301-46-8)

Guidance literature:

With bismuth (III) nitrate pentahydrate; acetic acid; for 0.0138889h; microwave irradiation;

DOI:10.1080/00397910500214136

Reference yield: 91.0%

N-(5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)acetamide → 5-(4-Methoxy-phenyl)-1,3-diphenyl-1H-pyrazole (27301-46-8)

Guidance literature:

With aluminum (III) chloride; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.joc.0c02244

Reference yield: 90.0%

C22H20N2O → 5-(4-Methoxy-phenyl)-1,3-diphenyl-1H-pyrazole (27301-46-8)

Guidance literature:

With oxygen; hydroquinone; In tetrahydrofuran; aq. phosphate buffer; at 20 ℃; for 6h; pH=4.5; Green chemistry;

DOI:10.1016/j.jcat.2019.12.023

upstream raw materials:

5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole

C₂₂H₂₀N₂O⁽¹⁺⁾

phenylhydrazine

1-(4-methoxy-phenyl)-3-phenyl-propynone

Downstream raw materials:

1-(4'-thiocyanophenyl)-3-phenyl-5-(4'-methoxyphenyl)-pyrazole