Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl-

Base Information

• Chemical Name: Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl-
• CAS No.: 64360-25-4
• Molecular Formula: C19H14N2O2
• Molecular Weight: 302.332
• DSSTox Substance ID: DTXSID80441553
• Nikkaji Number: J950.026J
• Wikidata: Q82258345
• Mol file: 64360-25-4.mol

Synonyms:64360-25-4;Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl-;DTXSID80441553;1,6-Diphenyl-3-methylpyrano[2,3-c]pyrazole-4(1H)-one

Chemical Property of Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 302.105527694
• Heavy Atom Count: 23
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl-

There total 13 articles about Pyrano[2,3-c]pyrazol-4(1H)-one, 3-methyl-1,6-diphenyl- 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: 76.0%

1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-phenyl-propane-1,3-dione (139396-12-6) → 3-methyl-1,6-diphenylpyrano[2,3-c]pyrazol-4(1H)-one (64360-25-4)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1021/jo00170a041

Reference yield: 57.0%

phenylpropiolyl chloride (7299-58-3) + edaravone (89-25-8) → 3-methyl-1,6-diphenylpyrano[2,3-c]pyrazol-4(1H)-one (64360-25-4)

Guidance literature:

With calcium hydroxide; In 1,4-dioxane; for 6h; Heating;

DOI:10.1055/s-2005-872078

Reference yield:

3-acetyl-4-hydroxy-6-phenyl-2H-pyran-2-one (17313-50-7) → 3-methyl-1,6-diphenylpyrano[2,3-c]pyrazol-4(1H)-one (64360-25-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / benzene / 1) reflux, 5 min; 2) room temp., 2h

2: 84 percent / acetic acid / 1 h / Heating

3: 76 percent / conc. sulfuric acid / acetic acid

With sulfuric acid; In acetic acid; benzene;

DOI:10.1021/jo00170a041

upstream raw materials:

1-Phenyl-3-methyl-4-acetyl-5-pyrazolon

benzoic acid ethyl ester

1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-phenyl-propane-1,3-dione

5-methyl-2-phenyl-4-<(E)-3-phenyl-2-propenoyl>-1,2-dihydro-3H-pyrazol-3-one