6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

Base Information

• Chemical Name: 6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
• CAS No.: 338748-56-4
• Molecular Formula: C₁₀H₁₁F₃N₆
• Molecular Weight: 272.233
• Mol file: 338748-56-4.mol

Synonyms:6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

Chemical Property of 6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

Chemical Property:

• PKA: 8.31±0.10(Predicted)
• Density: 1.67±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE 95.00% ^*data from reagent suppliers

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Technology Process of 6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

There total 2 articles about 6-PIPERAZINO-3-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE 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: 98.0%

tert-butyl 4-(3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate (1166819-50-6) → 6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine (338748-56-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2013.02.056

Reference yield:

6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (40971-95-7) → 6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine (338748-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / ethanol / 70 °C

2: trifluoroacetic acid / dichloromethane / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2011.06.122

Reference yield: 49.0%

6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine (338748-56-4) + 4-fluorobenzaldehyde (459-57-4) → 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (1166810-44-1)

Guidance literature:

With (polystyrylmethyl)trimethylammonium cyanoborohydride; In dichloromethane; acetic acid; at 20 ℃; for 40h;

DOI:10.1016/j.bmcl.2013.02.056

upstream raw materials:

6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

tert-butyl 4-(3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxylate

Downstream raw materials:

6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C₁₇H₁₅F₅N₆

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