5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Base Information

• Chemical Name: 5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
• CAS No.: 179996-59-9
• Molecular Formula: C₁₃H₁₁BrN₂O
• Molecular Weight: 291.147
• DSSTox Substance ID: DTXSID301217370

Synonyms:179996-59-9;5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one;4H-Indazol-4-one, 5-bromo-1,5,6,7-tetrahydro-1-phenyl-;MIYPPKAYULSMQS-UHFFFAOYSA-N;DTXSID301217370;STK771821;AKOS001748158;AKOS016051759;SR-01000091546;SR-01000091546-1;Indazol-4-one, 5-bromo-1-phenyl-1,5,6,7-tetrahydro-;5-Bromo-1,5,6,7-tetrahydro-1-phenyl-4H-indazol-4-one

Chemical Property of 5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.00548
• Heavy Atom Count: 17
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=NN2C3=CC=CC=C3)C(=O)C1Br

Technology Process of 5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one

There total 1 articles about 5-bromo-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-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: 58.0%

4-Oxo-1-phenyl-4,5,6,7-tetrahydrobenopyrazole (14823-31-5) → 5-bromo-4-oxo-1-phenyl-4,5,6,7-tetrahydroindazole (179996-59-9)

Guidance literature:

With pyridinium hydrobromide perbromide; In acetic acid; for 0.25h; Heating;

DOI:10.1007/BF01165905

Reference yield: 53.0%

thiourea (17356-08-0) + 5-bromo-4-oxo-1-phenyl-4,5,6,7-tetrahydroindazole (179996-59-9) → 6-Phenyl-5,6-dihydro-4H-3-thia-1,6,7-triaza-as-indacen-2-ylamine

Guidance literature:

In ethanol; for 7h; Heating;

DOI:10.1007/BF01165905

Reference yield:

5-bromo-4-oxo-1-phenyl-4,5,6,7-tetrahydroindazole (179996-59-9) → 5,5-Dimethyl-2-[(6-phenyl-5,6-dihydro-4H-3-thia-1,6,7-triaza-as-indacen-2-ylamino)-methylene]-cyclohexane-1,3-dione

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / ethanol / 7 h / Heating

2: 55 percent / ethanol / 70 - 75 °C

In ethanol;

DOI:10.1007/BF01165905

upstream raw materials:

4-Oxo-1-phenyl-4,5,6,7-tetrahydrobenopyrazole

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