Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylate
• CAS No.: 944806-39-7
• Molecular Formula: C₂₂H₂₁N₅O₄
• Molecular Weight: 419.44
• DSSTox Substance ID: DTXSID001114773
• Mol file: 944806-39-7.mol

Synonyms:DTXSID001114773;AKOS034680543;944806-39-7;Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylate;Z90667323

Chemical Property of Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 419.15935417
• Heavy Atom Count: 31
• Complexity: 605

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=NN=CN3C4=CC=CC=C4)C(=O)OCC

Technology Process of Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxylate

There total 1 articles about Ethyl 5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H-pyrazole-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: 60.0%

6-ethyl-7-hydroxy-4-oxo-3-(4-phenyl-4H-[1,2,4]triazol-3-yl)-4H-chromene-2-carboxylic acid ethyl ester (847758-30-9) → C22H21N5O4 (944806-39-7)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

DOI:10.1007/s10593-006-0117-z

Reference yield: 82.0%

C22H21N5O4 (944806-39-7) → 3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-yl carboxylic acid hydrazide

Guidance literature:

With hydrazine hydrate; In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1007/s10593-006-0117-z

Reference yield:

C22H21N5O4 (944806-39-7) → 2-(5-ethyl-2,4-dihydroxyphenyl)-3-(4-phenyl-1,2,4-triazol-3-yl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / hydrazine hydrate / dimethylformamide / 0.5 h / Heating

2: 50 percent / dimethylformamide / 4.5 h / Heating

With hydrazine hydrate; In N,N-dimethyl-formamide;

DOI:10.1007/s10593-006-0117-z

upstream raw materials:

6-ethyl-7-hydroxy-4-oxo-3-(4-phenyl-4H-[1,2,4]triazol-3-yl)-4H-chromene-2-carboxylic acid ethyl ester