ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate
• CAS No.: 618070-53-4
• Molecular Formula: C₁₉H₁₇ClN₂O₂
• Molecular Weight: 340.809
• European Community (EC) Number: 632-071-4
• DSSTox Substance ID: DTXSID201160996
• Mol file: 618070-53-4.mol

Synonyms:ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate;618070-53-4;DTXSID201160996;AKOS024407501;Ethyl 1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate

Chemical Property of ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 340.0978555
• Heavy Atom Count: 24
• Complexity: 406

Purity/Quality:

95% ^*data from raw suppliers

Ethyl1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Technology Process of ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate

There total 1 articles about ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-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: 56.0%

benzaldehyde p-toluenesulfonylhydrazone (1666-17-7) + 4-chlorobenzaldehyde (104-88-1) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate (618070-53-4)

Guidance literature:

With potassium acetate; Trimethylacetic acid; In N,N-dimethyl-formamide; at 100 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d0ob01478h

Reference yield:

ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate (618070-53-4) → 2-(3-butyl-1-chloroimidazo[1,5-a]pyridin-7-yl)-5-(1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazole (1571075-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine / methanol / Reflux

2: trichlorophosphate / Reflux

With hydrazine; trichlorophosphate; In methanol;

DOI:10.1016/j.saa.2013.12.016

Reference yield:

ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate (618070-53-4) → C17H15ClN4O (1020238-88-3)

Guidance literature:

With hydrazine; In methanol; Reflux;

DOI:10.1016/j.saa.2013.12.016

upstream raw materials:

benzaldehyde p-toluenesulfonylhydrazone

4-chlorobenzaldehyde

ethyl acrylate

Downstream raw materials:

2-(3-butyl-1-chloroimidazo[1,5-a]pyridin-7-yl)-5-(1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazole

C₁₇H₁₅ClN₄O

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