5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
• CAS No.: 1570496-34-2
• Molecular Formula: C₂₅H₂₅F₃N₆O₄S
• Molecular Weight: 562.573
• Mol file: 1570496-34-2.mol

Synonyms:4-methanesulfonyl-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine

Chemical Property of 5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

Chemical Property:

• Boiling Point: 768.0±70.0 °C(Predicted)
• PKA: 3.24±0.40(Predicted)
• Density: 1.48±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

4-(Methylsulfonyl)-1-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-1-yl]methyl]phenyl]piperidine(IACS-010759) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-(Methylsulfonyl)-1-[3-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-1-yl]methyl]phenyl]piperidine is a drug candidate that acts as a modulator of HIF activity for treatment of cancer and other hypoxia-mediated diseases.

Technology Process of 5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

There total 7 articles about 5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole 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: 39.0%

5-(1-(3-bromobenzyl)-5-methyl-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole (1570494-48-2) + 4-(methylsulfonyl)piperidine (290328-55-1) → 4-methanesulfonyl-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine (1570496-34-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate; ruphos; In toluene; at 140 ℃; for 18h; Inert atmosphere;

DOI:10.1038/s41591-018-0052-4

Reference yield:

3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carbohydrazide (883028-82-8) → 4-methanesulfonyl-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine (1570496-34-2)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide / tetrahydrofuran / Reflux

2: ethylene glycol / 3 h / 180 °C

3: potassium carbonate / N,N-dimethyl-formamide / 50 °C

4: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos / toluene / 18 h / 140 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; caesium carbonate; sodium hydroxide; XPhos; In tetrahydrofuran; ethylene glycol; N,N-dimethyl-formamide; toluene;

Reference yield:

ethyl 3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carboxylate (1258269-03-2) → 4-methanesulfonyl-1-{3-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-1,2,4-triazol-1-yl)methyl]phenyl}piperidine (1570496-34-2)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrazine hydrate / ethanol

2: sodium hydroxide / tetrahydrofuran / Reflux

3: ethylene glycol / 3 h / 180 °C

4: potassium carbonate / N,N-dimethyl-formamide / 50 °C

5: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos / toluene / 18 h / 140 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; caesium carbonate; hydrazine hydrate; sodium hydroxide; XPhos; In tetrahydrofuran; ethanol; ethylene glycol; N,N-dimethyl-formamide; toluene;

upstream raw materials:

5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

5-(1-(3-bromobenzyl)-5-methyl-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

4-(methylsulfonyl)piperidine

ethyl 3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carboxylate

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