5-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole
• CAS No.: 33064-24-3
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.3
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90534824
• Nikkaji Number: J3.450.624H
• Wikidata: Q82408823
• Mol file: 33064-24-3.mol

Synonyms:5-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole;33064-24-3;5-(4-METHOXYPHENYL)-1-PHENYLPYRAZOLE;1H-Pyrazole,5-(4-methoxyphenyl)-1-phenyl-;DTXSID90534824

Chemical Property of 5-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 410.927 °C at 760 mmHg
• Flash Point: 202.322 °C
• PSA: 27.05000
• Density: 1.109 g/cm³
• LogP: 3.54790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole

There total 18 articles about 5-(4-Methoxyphenyl)-1-phenyl-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: 97.0%

ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate (2286-29-5) + phenylhydrazine (100-63-0) → 5-(4-methoxyphenyl)-1-phenyl-1H-pyrazole (33064-24-3)

Guidance literature:

With bis(triphenylphosphino)copper(I) nitrate; sodium ethanolate; In ethanol; at 60 ℃; for 1.5h; Sonication;

DOI:10.14233/ajchem.2020.22432

Reference yield: 94.0%

5-(4-methoxyphenyl)-1,2-oxazole (3672-48-8) + phenylhydrazine (100-63-0) → 5-(4-methoxyphenyl)-1-phenyl-1H-pyrazole (33064-24-3) + 3-(4-methoxy-phenyl)-1-phenyl-1H-pyrazole (33064-21-0)

Guidance literature:

With hydrogenchloride; tricarbonyl(cycloheptatriene)molybdenum⁽⁰⁾; In tetrahydrofuran; water; at 70 ℃; for 16h; regioselective reaction; Sealed tube;

DOI:10.1055/s-0039-1690615

Reference yield: 85.0%

(Z)-1-(3-(4-methoxyphenyl)prop-2-yn-1-ylidene)-2-phenylhydrazine (1318807-93-0) → 5-(4-methoxyphenyl)-1-phenyl-1H-pyrazole (33064-24-3)

Guidance literature:

With copper(l) iodide; triethylamine; In acetonitrile; at 82 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo201685p

upstream raw materials:

phenylhydrazine

1-(4-methoxyphenyl)-2-propyn-1-one

1-[(E)-3-Dimethylamino-1-(4-methoxy-phenyl)-prop-2-en-(E)-ylideneamino]-4,6-diphenyl-1H-pyridin-2-one

N-(α-methyl-4-methoxybenzylidenamino)-4,6-diphenyl-2-pyridone

Refernces

• 1、 Beaumont, Stéphane,Rey, Marine. "Molybdenum-Mediated One-Pot Synthesis of Pyrazoles from Isoxazoles". . p. 3796 - 3804. Retrieved 2019/10/11.
• 2、 Kashiwa, Mitsuhiro,Kuwata, Yoshiyuki,Sonoda, Motohiro,Tanimori, Shinji. "Oxone-mediated facile access to substituted pyrazoles". . p. 304 - 311. Retrieved 2015/12/30.