Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-

Base Information

• Chemical Name: Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
• CAS No.: 105491-55-2
• Molecular Formula: C14H11N3OS
• Molecular Weight: 269.327
• DSSTox Substance ID: DTXSID20355544
• Nikkaji Number: J1.726.218A
• Wikidata: Q82134516
• ChEMBL ID: CHEMBL40439
• Mol file: 105491-55-2.mol

Synonyms:105491-55-2;Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-;4-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine;Cambridge id 6677054;MLS000111863;CHEMBL40439;2-(benzylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole;BDBM8548;cid_805390;SCHEMBL5024067;DTXSID20355544;HMS2394A17;CCG-17081;NSC802382;STK032731;AKOS000647504;NSC-802382;oxadiazole-pyridyl containing compound 8;SMR000107782;EU-0072448;2-benzylthio-5-(4-pyridyl)-1,3,4-oxadiazole;EN300-18080706;SR-01000441810;SR-01000441810-1;BRD-K34609120-001-07-3;Z21488735;2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole;F0919-0843

Chemical Property of Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 269.06228316
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=NC=C3

Technology Process of Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-

There total 8 articles about Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]- 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: 84.0%

benzyl chloride (100-44-7) + 5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol (15264-63-8) → 2-(benzylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole (105491-55-2)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; for 0.25h; under 10343.2 Torr; Microwave irradiation; Heating;

DOI:10.2174/1570180811666140522002929

Reference yield: 79.0%

benzyl bromide (100-39-0) + 5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol (15264-63-8) → 2-(benzylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole (105491-55-2)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jm300309a

Reference yield:

isoniazid (54-85-3,7640-37-1) → 2-(benzylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole (105491-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: K₂CO₃ / acetone / Heating

With potassium hydroxide; potassium carbonate; In ethanol; acetone;

DOI:10.1016/S0960-894X(96)00504-5

upstream raw materials:

5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol

benzyl chloride

isoniazid

benzyl bromide