5-(Piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-(Piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole
• CAS No.: 276237-03-7
• Molecular Formula: C₁₂H₁₄N₄O
• Molecular Weight: 230.269
• Hs Code.: 2933399990
• European Community (EC) Number: 674-472-7
• DSSTox Substance ID: DTXSID50375578
• Wikidata: Q82164159
• Mol file: 276237-03-7.mol

Synonyms:276237-03-7;5-(piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole;4-[5-(piperidin-4-yl)-[1,2,4]-oxadiazol-3-yl]-pyridine;4-(5-Piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyridine;4-[5-(piperidin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine;5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole;Pyridine, 4-[5-(4-piperidinyl)-1,2,4-oxadiazol-3-yl]-;Peakdale1_002618;SR-01000384101;Ethyl2-chloropropionate;SCHEMBL187896;HMS525G22;DTXSID50375578;OAAGDVLVOKMRCQ-UHFFFAOYSA-N;MFCD03426075;STL183911;AKOS009158579;AS-80787;BB 0238761;CS-0188270;FT-0676561;E76031;SR-01000384101-1;4-((5-piperidin-4-yl)-1,2,4-oxadiazol-3-yl)pyridine;4-(5-Piperidin-4-yl)-1,2,4-oxadiazol-3-yl)pyridine;4-(5-Piperidin-4-yl-[1,2,4]oxadiazol-3-yl)pyridine;4-[5-(piperidin-4-yl)1,2,4-oxadiazol-3-yl]pyridine;F6548-0689;4-(5-Piperidin-4-yl-[1,2,4]oxadiazol-3-yl)-pyri dine;4-[5-(4-Piperidinyl)-1,2,4-oxadiazol-3-yl]pyridine, AldrichCPR

Chemical Property of 5-(Piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole

Chemical Property:

• Melting Point: 82～85℃
• PSA: 63.84000
• LogP: 1.92740
• Storage Temp.: 2-8°C(protect from light)
• 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: 239

Purity/Quality:

97% ^*data from raw suppliers

4-(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=CC=NC=C3

Technology Process of 5-(Piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole

There total 4 articles about 5-(Piperidin-4-yl)-3-(pyridin-4-yl)-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:

4-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)piperidine-1-carboxylic acid tert-butyl ester → 5-(piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (276237-03-7)

Guidance literature:

4-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)piperidine-1-carboxylic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2.5h;

With sodium carbonate; In water; ethyl acetate;

Reference yield:

(R)-2-(2-chloro-5-oxo-6,7-dihydro-5H-5λ4-thieno[3,2-d]pyrimidin-4-ylamino)-3-methyl-butan-1-ol (1143575-83-0) → 5-(piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (276237-03-7)

Guidance literature:

Reference yield:

2,4-dichloro-6,7-dihydro-thieno[3,2-d]pyrimidine (74901-69-2) → 5-(piperidin-4-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole (276237-03-7)

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / ethyl acetate; 1,4-dioxane; Petroleum ether

2: tert.-butylhydroperoxide / dichloromethane; chloroform; decane

With tert.-butylhydroperoxide; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; decane; dichloromethane; chloroform; ethyl acetate; Petroleum ether;

upstream raw materials:

2,4-dichloro-6,7-dihydro-thieno[3,2-d]pyrimidine

(R)-2-(2-chloro-5-oxo-6,7-dihydro-5H-5λ⁴-thieno[3,2-d]pyrimidin-4-ylamino)-3-methyl-butan-1-ol

(R)-2-(2-chloro-6,7-dihydro-thieno[3,2-d]pyrimidin-4-ylamino)-3-methyl-butan-1-ol

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