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

Base Information

• Chemical Name: 1-Methyl-4-(4-methylphenyl)-1H-pyrazole
• CAS No.: 37921-11-2
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• DSSTox Substance ID: DTXSID20401878
• Nikkaji Number: J2.779.227H
• Wikidata: Q82205154
• Mol file: 37921-11-2.mol

Synonyms:37921-11-2;1-METHYL-4-(4-METHYLPHENYL)-1H-PYRAZOLE;1-Methyl-4-(p-tolyl)-1H-pyrazole;1H-Pyrazole, 1-methyl-4-(4-methylphenyl)-;1-methyl-4-(4-methylphenyl)pyrazole;Peakdale2_000025;SCHEMBL844281;DTXSID20401878;BTKNUQFTTRAZPU-UHFFFAOYSA-N;AKOS006275187;IDI1_001417;E89420

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

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 10 articles about 1-Methyl-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: 95.0%

4-tolyl iodide (624-31-7) + 1-methyl-4-tributylstannanyl-1H-pyrazole (179055-21-1) → 1-methyl-4-(4-methylphenyl)-1H-pyrazole (37921-11-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; cesium fluoride; tri tert-butylphosphoniumtetrafluoroborate; In 1-methyl-pyrrolidin-2-one; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.5b06587

Reference yield: 90.0%

methylhydrazine (60-34-4) + (Z)-3-Methylsulfanyl-2-p-tolyl-propenal (82525-12-0) → 1-methyl-4-(4-methylphenyl)-1H-pyrazole (37921-11-2)

Guidance literature:

In ethanol; for 14h; Heating;

Reference yield: 89.0%

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole lithium hydroxy-ate complex + para-chlorotoluene (106-43-4) → 1-methyl-4-(4-methylphenyl)-1H-pyrazole (37921-11-2)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 100 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.09.105

upstream raw materials:

methylhydrazine

(Z)-3-Methylsulfanyl-2-p-tolyl-propenal

4-methyl-benzaldehyde

1-Methyl-4-((Z)-2-methylsulfanyl-vinyl)-benzene

Downstream raw materials:

4-(1-methyl-1H-pyrazol-4-yl)benzoic acid