4-(4-methylphenyl)-1H-pyrazole

Base Information

• Chemical Name: 4-(4-methylphenyl)-1H-pyrazole
• CAS No.: 111016-46-7
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• European Community (EC) Number: 819-267-7
• Nikkaji Number: J2.580.014A

Synonyms:4-(4-methylphenyl)-1H-pyrazole;111016-46-7;4-(p-Tolyl)-1H-pyrazole;4-p-Tolyl-1H-pyrazole;SCHEMBL844167;BDBM17450;AKOS006237880;BS-30093;CS-0205025;FT-0725712;EN300-61039;Z959165490

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

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Methylphenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CNN=C2

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

There total 14 articles about 4-(4-methylphenyl)-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: 60.0%

4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester (187159-25-7) → 4-(4-toyl)-1H-pyrazole (111016-46-7)

Guidance literature:

With potassium hydroxide; In methanol; for 0.5h; Heating;

Reference yield: 46.0%

3-hydroxy-2-(4-methylphenyl)acrylaldehyde (53868-45-4) → 4-(4-toyl)-1H-pyrazole (111016-46-7)

Guidance literature:

With hydrazine; In ethanol; at 0 - 20 ℃;

DOI:10.1021/jm050408c

Reference yield:

2-(4-methylphenyl)malondialdehyde (27956-35-0) → 4-(4-toyl)-1H-pyrazole (111016-46-7)

Guidance literature:

With hydrazine; at 20 ℃;

DOI:10.1016/j.bmcl.2013.12.014

upstream raw materials:

4-p-Tolyl-1H-pyrazole-3-carboxylic acid

4-p-Tolyl-2H-pyrazole-3-carboxylic acid ethyl ester

3-hydroxy-2-(4-methylphenyl)acrylaldehyde

5-(4-Methyl-benzoyl)-4-p-tolyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid ethyl ester

Downstream raw materials:

1-(4-nitrophenyl)-4-p-tolyl-1H-pyrazole

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