6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one

Base Information

Chemical Name:6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one
CAS No.:86798-76-7
Molecular Formula:C14H12N4O
Molecular Weight:252.275
Hs Code.:
ChEMBL ID:CHEMBL31105
DSSTox Substance ID:DTXSID10555899
Wikidata:Q82437349

Synonyms:86798-76-7;CHEMBL31105;6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one;6-[4-(1H-Imidazol-1-yl)phenyl]-5-methylpyridazin-3(2H)-one;SCHEMBL7290528;DTXSID10555899;BDBM50018613;6-(4-Imidazol-1-yl-phenyl)-5-methyl-2H-pyridazin-3-one

Suppliers and Price of 6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:252.10111102
Heavy Atom Count:19
Complexity:421

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3

Technology Process of 6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-one

There total 6 articles about 6-(4-(1H-Imidazol-1-yl)phenyl)-5-methylpyridazin-3(2H)-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: 60.0%

: 86798-59-6
4,5-dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-5-methyl-3(2H)-pyridazinone

: 86798-76-7
6-<4-(1H-imidazol-1-yl)phenyl>-5-methyl-3(2H)-pyridazinone

Guidance literature:: With manganese(IV) oxide; In 1,4-dioxane; N,N-dimethyl-formamide; 1.) 90 deg C, overnight, 2.) 105 deg C, 4 h;
DOI:10.1021/jm00148a006

Reference yield:

: 10040-98-9
1-(4-formylphenyl)-1H-imidazole

: 86798-76-7
6-<4-(1H-imidazol-1-yl)phenyl>-5-methyl-3(2H)-pyridazinone

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) p-toluenesulfonic acid / 1.) dioxane, reflux, 0.5 h, 2.) dioxane, H₂O, reflux, 1 h

2: 58.1 g / KOH / tetrahydrofuran; methanol

3: 79 percent / 75percent aq. CH₃COOH / 3 h / Heating

4: 30.9 g / 20percent aq. HCl / propan-1-ol / 7 h / Heating

5: 80 percent / 85percent hydrazine hydrate / ethanol / 7 h / Heating

6: 60 percent / MnO₂ / dimethylformamide; dioxane / 1.) 90 deg C, overnight, 2.) 105 deg C, 4 h

With hydrogenchloride; manganese(IV) oxide; potassium hydroxide; toluene-4-sulfonic acid; hydrazine hydrate; acetic acid; In tetrahydrofuran; 1,4-dioxane; methanol; propan-1-ol; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00148a006

Reference yield:

: 88427-89-8
4-(1H-imidazol-1-yl)-β-methyl-γ-oxobenzenebutanenitrile

: 86798-76-7
6-<4-(1H-imidazol-1-yl)phenyl>-5-methyl-3(2H)-pyridazinone

Guidance literature:: Multi-step reaction with 3 steps

1: 30.9 g / 20percent aq. HCl / propan-1-ol / 7 h / Heating

2: 80 percent / 85percent hydrazine hydrate / ethanol / 7 h / Heating

3: 60 percent / MnO₂ / dimethylformamide; dioxane / 1.) 90 deg C, overnight, 2.) 105 deg C, 4 h

With hydrogenchloride; manganese(IV) oxide; hydrazine hydrate; In 1,4-dioxane; propan-1-ol; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00148a006