3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine

Base Information

• Chemical Name: 3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine
• CAS No.: 849925-01-5
• Molecular Formula: C12H14 N4 O
• Molecular Weight: 230.269
• Hs Code.: 2934999090
• European Community (EC) Number: 674-477-4
• DSSTox Substance ID: DTXSID20375580
• Wikidata: Q82164162
• Mol file: 849925-01-5.mol

Synonyms:849925-01-5;3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine;5-piperidin-4-yl-3-pyridin-3-yl-1,2,4-oxadiazole;3-[5-(piperidin-4-yl)-[1,2,4]-oxadiazol-3-yl]-pyridine;3-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine;3-(5-piperidin-4-yl)-1,2,4-oxadiazol-3-yl)pyridine;5-(Piperidin-4-Yl)-3-(Pyridin-3-Yl)-1,2,4-Oxadiazole;Peakdale1_002780;SCHEMBL8058136;HMS525O08;DTXSID20375580;3-(3-PYRIDINYL)-5-(4-PIPERIDINYL)-1,2,4-OXADIAZOLE;AMY12246;ZIB92501;MFCD03426078;AKOS005853363;PS-7716;BB 0238760;CS-0317104;FT-0676560;A803189;SR-01000384104;SR-01000384104-1;3-((5-piperidin-4-yl)-1,2,4-oxadiazol-3-yl)pyridine;3-[5-(piperidin-4-yl)1,2,4-oxadiazol-3-yl]pyridine;3-(5-Piperidin-4-yl-[1,2,4]oxadiazol-3-yl)-pyri dine;3-[5-(4-Piperidinyl)-1,2,4-oxadiazol-3-yl]pyridine, AldrichCPR

Chemical Property of 3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine

Chemical Property:

• Melting Point: 80-83°
• PSA: 63.84000
• LogP: 1.92740
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.11676108
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=NC(=NO2)C3=CN=CC=C3

Technology Process of 3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine

There total 6 articles about 3-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine 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: 94.0%

tert-butyl 4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (1001467-24-8) → 3-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine (849925-01-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

Reference yield:

nicotinamide oxime (1594-58-7) → 3-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine (849925-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol / 1,4-dioxane / 0.25 h / 20 °C

1.2: 10 h / 100 °C

2.1: trifluoroacetic acid / dichloromethane / 10 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;

DOI:10.1039/c4md00505h

Reference yield:

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) → 3-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine (849925-01-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydroxylamine hydrochloride / ethanol / 8 h / Reflux

2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; benzotriazol-1-ol / 1,4-dioxane / 0.25 h / 20 °C

2.2: 10 h / 100 °C

3.1: trifluoroacetic acid / dichloromethane / 10 h / 20 °C

With hydroxylamine hydrochloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1039/c4md00505h

upstream raw materials:

tert-butyl 4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

pyridine-3-carbonitrile

nicotinamide oxime

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

Downstream raw materials:

C₃₃H₂₉N₇OS

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