5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: 5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 29665-05-2
• Molecular Formula: C15H12N2O2S
• Molecular Weight: 284.338
• DSSTox Substance ID: DTXSID80579325
• Nikkaji Number: J2.270.056A
• Mol file: 29665-05-2.mol

Synonyms:29665-05-2;DTXSID80579325;3-methyl-1-phenyl-4-(thiophene-2-carbonyl)-1H-pyrazol-5(4H)-one;5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of 5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.06194880
• Heavy Atom Count: 20
• Complexity: 443

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1C(=O)C2=CC=CS2)C3=CC=CC=C3

Technology Process of 5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one

There total 2 articles about 5-Methyl-2-phenyl-4-(thiophene-2-carbonyl)-2,4-dihydro-3H-pyrazol-3-one 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: 78.0%

2-Thiophenecarbonyl chloride (5271-67-0) + edaravone (89-25-8) → 5-methyl-2-phenyl-4-(2-thenoyl)-2,4-dihydro-3H-pyrazol-3-one (29665-05-2)

Guidance literature:

With calcium hydroxide; In 1,4-dioxane; for 24h; Heating;

DOI:10.1016/S0022-328X(02)01122-1

Reference yield:

→ 5-methyl-2-phenyl-4-(2-thenoyl)-2,4-dihydro-3H-pyrazol-3-one (29665-05-2)

Guidance literature:

Methylenverb.,RCOCl;

Reference yield: 79.0%

5-methyl-2-phenyl-4-(2-thenoyl)-2,4-dihydro-3H-pyrazol-3-one (29665-05-2) + bis(triphenylphosphane)copper(I) nitrate → [Cu(I)(1-phenyl-3-methyl-4-thienoylpyrazol-5-one-1H)(PPh3)2]

Guidance literature:

With NaOCH₃; In toluene; Cu compd. added to soln./suspn. of ligand and NaOMe, stirred for 1 h; solvent removed in vac., CHCl3 added, filtered, pptd. with light petroleum, filtered, washed with light petroleum; elem. anal.;

DOI:10.1016/j.poly.2005.07.020

upstream raw materials:

2-Thiophenecarbonyl chloride

edaravone