2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one

Base Information

Chemical Name:2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one
CAS No.:89848-22-6
Molecular Formula:C22H27N5O2
Molecular Weight:393.489
Hs Code.:
DSSTox Substance ID:DTXSID001109041

Synonyms:DTXSID001109041;2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one;89848-22-6

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Chemical Property of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:393.21647512
Heavy Atom Count:29
Complexity:600

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN(C(=O)N1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)C(C)C

Technology Process of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-3-one

There total 8 articles about 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-2-(1-methylethyl)-3H-1,2,4-triazol-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: 100.0%

: 89848-17-9
2-Isopropyl-4-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-phenyl}-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one

: 89848-22-6
4-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2-isopropyl-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one

Guidance literature:: With hydrogen bromide; Heating;
DOI:10.1021/jm00373a015

Reference yield:

: 100-00-5
4-chlorobenzonitrile

: 89848-22-6
4-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2-isopropyl-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one

Guidance literature:: Multi-step reaction with 7 steps

1: 67 percent / K₂CO₃ / dimethylsulfoxide / 120 °C

2: 74 percent / H₂, thiophene / 5percent Pd/C / 2-methoxy-ethanol; methanol / 50 °C / Heating

3: 61 percent / pyridine / CHCl₃ / 3 h

4: 63 percent / hydrazine hydrate / dioxane / 3 h / Heating

5: 34 percent / NaOAc / butan-1-ol

6: 51 percent / KOH / dimethylsulfoxide / 14 h

7: 100 percent / 48percent aq. HBr / Heating

With thiophene; pyridine; potassium hydroxide; hydrogen bromide; hydrogen; sodium acetate; potassium carbonate; hydrazine hydrate; palladium on activated charcoal; In 1,4-dioxane; methanol; chloroform; 2-methoxy-ethanol; dimethyl sulfoxide; butan-1-ol;
DOI:10.1021/jm00373a015

Reference yield:

: 38212-30-5
4-(4-methoxyphenyl)piperazine

: 89848-22-6
4-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2-isopropyl-5-methyl-2,4-dihydro-[1,2,4]triazol-3-one

Guidance literature:: Multi-step reaction with 7 steps

1: 67 percent / K₂CO₃ / dimethylsulfoxide / 120 °C

2: 74 percent / H₂, thiophene / 5percent Pd/C / 2-methoxy-ethanol; methanol / 50 °C / Heating

3: 61 percent / pyridine / CHCl₃ / 3 h

4: 63 percent / hydrazine hydrate / dioxane / 3 h / Heating

5: 34 percent / NaOAc / butan-1-ol

6: 51 percent / KOH / dimethylsulfoxide / 14 h

7: 100 percent / 48percent aq. HBr / Heating

With thiophene; pyridine; potassium hydroxide; hydrogen bromide; hydrogen; sodium acetate; potassium carbonate; hydrazine hydrate; palladium on activated charcoal; In 1,4-dioxane; methanol; chloroform; 2-methoxy-ethanol; dimethyl sulfoxide; butan-1-ol;
DOI:10.1021/jm00373a015