4-(4-methoxyphenyl)-1H-pyrazole

Base Information

• Chemical Name: 4-(4-methoxyphenyl)-1H-pyrazole
• CAS No.: 111016-45-6
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2933199090
• European Community (EC) Number: 845-588-7
• Nikkaji Number: J854.802A
• Mol file: 111016-45-6.mol

Synonyms:4-(4-methoxyphenyl)-1H-pyrazole;111016-45-6;SCHEMBL1186757;ULHLFXBETPFBLH-UHFFFAOYSA-N;AKOS006278377;AB15671;BS-26467;FT-0724195;EN300-1723690;Z1198162998

Chemical Property of 4-(4-methoxyphenyl)-1H-pyrazole

Chemical Property:

• Melting Point: 211-213 °C
• Boiling Point: 374.7±35.0 °C(Predicted)
• PKA: 14.45±0.50(Predicted)
• PSA: 37.91000
• Density: 1.159±0.06 g/cm3(Predicted)
• LogP: 2.08530
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

95%-98% ^*data from raw suppliers

4-(4-Methoxyphenyl)-1H-pyrazole ^*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=CNN=C2

Technology Process of 4-(4-methoxyphenyl)-1H-pyrazole

There total 12 articles about 4-(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%

→ 4-(4-methoxyphenyl)-1H-pyrazole (111016-45-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetrabutylammomium bromide; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield: 85.0%

4-(4'-methoxyphenyl)-1-tritylpyrazole (191980-58-2) → 4-(4-methoxyphenyl)-1H-pyrazole (111016-45-6)

Guidance literature:

With trifluoroacetic acid; In methanol; dichloromethane; at 75 ℃; for 12h;

DOI:10.1055/s-1997-1230

Reference yield: 76.0%

4-(4-methoxyphenyl)-1-(phenylsulfonyl)-1H-pyrazole → 4-(4-methoxyphenyl)-1H-pyrazole (111016-45-6)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; Cu(dq)((rac)-2,2′-bis(diphenylphosphino)-1,1′-binaphthalene)BF₄; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.0c00983

upstream raw materials:

4-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

4-(4'-methoxyphenyl)-1-tritylpyrazole

(Z)-N-benzoylamino-3-(4-methyoxyphenyl) acrylic acid methyl ester

(Z)-methyl 2-acetamido-3-(4-methoxyphenyl)acrylate

Downstream raw materials:

4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazole