4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine

Base Information

• Chemical Name: 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine
• CAS No.: 280110-78-3
• Molecular Formula: C13H15 N3 O
• Molecular Weight: 229.282
• Hs Code.: 2934999090
• European Community (EC) Number: 674-482-1
• DSSTox Substance ID: DTXSID60375584
• Wikidata: Q82164168
• Mol file: 280110-78-3.mol

Synonyms:4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine;280110-78-3;2-phenyl-5-(piperidin-4-yl)-1,3,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)PIPERIDINE(MINIMUM90%);Peakdale1_002548;SCHEMBL407300;HMS525D18;DTXSID60375584;HGVYYGIMDHYGFJ-UHFFFAOYSA-N;MFCD03426083;AKOS005137122;PS-5970;FT-0676558;F21494;4-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-piperidine;A876807;SR-01000388060;SR-01000388060-1;4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine, AldrichCPR

Chemical Property of 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine

Chemical Property:

• Vapor Pressure: 2.39E-06mmHg at 25°C
• Melting Point: 89-91°C
• Refractive Index: 1.548
• Boiling Point: 391.9°Cat760mmHg
• PKA: 9.57±0.10(Predicted)
• Flash Point: 190.8°C
• PSA: 50.95000
• Density: 1.139g/cm³
• LogP: 2.53240
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.121512110
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=NN=C(O2)C3=CC=CC=C3

Technology Process of 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine

There total 6 articles about 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)piperidine 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:

tert-butyl 4-(2-benzoylhydrazinecarbonyl)piperidine-1-carboxylate (1031156-54-3) → 4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidine (280110-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluenesulfonyl chloride / tetrahydrofuran / 50 °C

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

With p-toluenesulfonyl chloride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1039/c4md00505h

Reference yield:

4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester (280110-70-5) → 4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidine (280110-78-3)

Guidance literature:

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

With ammonia; In methanol; dichloromethane; pH=7;

Reference yield:

tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate (187834-88-4) → 4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidine (280110-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 48 h / Reflux

2.1: trifluoroacetic acid / dichloromethane / 1 h

2.2: pH 7

With trifluoroacetic acid; In ethanol; dichloromethane;

upstream raw materials:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate

4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(2-benzoylhydrazinecarbonyl)piperidine-1-carboxylate

Downstream raw materials:

[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-piperidin-1-yl]-acetic acid

C₂₃H₂₆N₆O₄

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