Methyl 2,5-diphenylpyrazole-3-carboxylate

Base Information

• Chemical Name: Methyl 2,5-diphenylpyrazole-3-carboxylate
• CAS No.: 55115-12-3
• Molecular Formula: C17H14N2O2
• Molecular Weight: 278.31
• DSSTox Substance ID: DTXSID601255153
• Nikkaji Number: J2.122.831A

Synonyms:55115-12-3;1,3-Diphenyl-1H-pyrazole-5-carboxylic acid methyl ester;1H-Pyrazole-5-carboxylic acid, 1,3-diphenyl-, methyl ester;methyl 2,5-diphenylpyrazole-3-carboxylate;DTXSID601255153;Methyl 1,3-diphenyl-1H-pyrazole-5-carboxylate

Chemical Property of Methyl 2,5-diphenylpyrazole-3-carboxylate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.105527694
• Heavy Atom Count: 21
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Methyl 2,5-diphenylpyrazole-3-carboxylate

There total 5 articles about Methyl 2,5-diphenylpyrazole-3-carboxylate 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: 75.0%

5-iodo-1,3-diphenyl-1H-pyrazole (1205123-38-1) + methyl chloroformate (79-22-1) → 1,3-Diphenylpyrazol-5-carbonsaeure-methylester (55115-12-3)

Guidance literature:

5-iodo-1,3-diphenyl-1H-pyrazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

methyl chloroformate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo902514v

Reference yield: 74.0%

phenylhydrazine (100-63-0) + methyl 4-phenyl-2,4-dioxobutanoate (20577-73-5) → 1,3-Diphenylpyrazol-5-carbonsaeure-methylester (55115-12-3)

Guidance literature:

With Montmorillonite K₁₀; hydrazine hydrate; In isopropyl alcohol; Heating;

DOI:10.1080/00304940409356638

Reference yield:

(α-nitrobenzylidene)phenylhydrazine (55849-26-8) + propynoic acid methyl ester (922-67-8) → 1,3-diphenyl-1H-pyrazole-4-carboxylic acid methylester (17647-23-3) + 1,3-Diphenylpyrazol-5-carbonsaeure-methylester (55115-12-3)

Guidance literature:

With triethylamine; sodium iodide; In acetonitrile; at 80 ℃; for 4h; Yields of byproduct given;

upstream raw materials:

(α-nitrobenzylidene)phenylhydrazine

propynoic acid methyl ester

N-phenylbenzohydrazonoyl chloride

phenylhydrazine

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