2,5-Bis(4-pyridyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2,5-Bis(4-pyridyl)-1,3,4-oxadiazole
• CAS No.: 15420-02-7
• Molecular Formula: C12H8 N4 O
• Molecular Weight: 224.222
• Hs Code.: 2934999090
• European Community (EC) Number: 688-823-7
• DSSTox Substance ID: DTXSID20351425
• Nikkaji Number: J1.211.881C
• Wikidata: Q82127830
• ChEMBL ID: CHEMBL229359
• Mol file: 15420-02-7.mol

Synonyms:15420-02-7;2,5-Bis(4-pyridyl)-1,3,4-oxadiazole;2,5-Di(pyridin-4-yl)-1,3,4-oxadiazole;2,5-dipyridin-4-yl-1,3,4-oxadiazole;4,4'-(1,3,4-oxadiazole-2,5-diyl)dipyridine;Pyridine,4,4'-(1,3,4-oxadiazole-2,5-diyl)bis-;2,5-di(4-pyridyl)-1,3,4-oxadiazole;SMR000102936;Cambridge id 5323927;YSWG027;MLS000105962;CHEMBL229359;SCHEMBL4883712;DTXSID20351425;HMS2413D24;MFCD00184269;STK792959;AKOS000630369;BS-52048;CS-0110715;E77000;4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridine;F0486-1550

Chemical Property of 2,5-Bis(4-pyridyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 5.39E-08mmHg at 25°C
• Melting Point: 184.5-185 °C
• Refractive Index: 1.599
• Boiling Point: 453.8°Cat760mmHg
• PKA: 1.44±0.10(Predicted)
• Flash Point: 240.3°C
• PSA: 64.70000
• Density: 1.276g/cm³
• LogP: 2.19360
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.06981089
• Heavy Atom Count: 17
• Complexity: 215

Purity/Quality:

98.5% ^*data from raw suppliers

2,5-BIS(4-PYRIDYL)-1,3,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C2=NN=C(O2)C3=CC=NC=C3

Technology Process of 2,5-Bis(4-pyridyl)-1,3,4-oxadiazole

There total 7 articles about 2,5-Bis(4-pyridyl)-1,3,4-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: 96.0%

3,6-di(pyridin-4-yl)-1,2,4,5-tetrazine (57654-36-1) → 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (15420-02-7)

Guidance literature:

With 3Fe⁽²⁺⁾*3HO^(1-)*1.5C₄O₄^(2-); water; In acetonitrile; at 20 ℃; for 1.5h; Green chemistry;

DOI:10.1021/ic5003258

Reference yield: 72.0%

pyridine-4-carboxylic acid (55-22-1) → 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (15420-02-7)

Guidance literature:

With hydrazine dihydrochloride; phosphoric acid; phosphorus pentoxide; at 130 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1081/SCC-100103330

Reference yield: 68.0%

pyridine-4-carboxylic acid (55-22-1) + isoniazid (54-85-3,7640-37-1) → 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (15420-02-7)

Guidance literature:

With trichlorophosphate; for 5h; Heating;

upstream raw materials:

isonicotinic acid isopropylidenehydrazide

N,N'-bis(isonicotinoyl)hydrazine

pyridine-4-carboxylic acid

isoniazid

Refernces

• 1、 Karle, Isabella L.,Rajesh,Ranganathan, Subramania. "Crystal engineering: A unique cyclic assembly of a 40 membered module composed from two alternating units each of benzenehexacarboxylic acid (mellitic acid, MA) and 2,5-bis-(4-pyridyl)-1,3,4-oxadiazole (4-BPO): Assembly of modules to macromolecules by intermolecular hydrogen bonding". . p. 201 - 208. Retrieved 2009.
• 2、 -. "2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER". Page/Page column 66; 68. . Retrieved 2010/11/29.