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

Base Information

• Chemical Name: 3,5-Bis(pentadecafluoroheptyl)-1,2,4-oxadiazole
• CAS No.: 4314-47-0
• Molecular Formula: C₁₆F₃₀N₂O
• Molecular Weight: 806.141
• NSC Number: 71010
• DSSTox Substance ID: DTXSID30290775
• Wikidata: Q82028565
• Mol file: 4314-47-0.mol

Synonyms:3,5-bis(pentadecafluoroheptyl)-1,2,4-oxadiazole;4314-47-0;NSC71010;DTXSID30290775;RQOQQUXPEGXUBM-UHFFFAOYSA-N;NSC-71010;3,5-bis(perfluoro-n-heptyl)-1 ,2,4-oxadiazole

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

Chemical Property:

• Vapor Pressure: 0.00614mmHg at 25°C
• Boiling Point: 281.2°C at 760 mmHg
• Flash Point: 123.9°C
• Density: 1.771g/cm³
• XLogP3: 10
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 12
• Exact Mass: 805.9531575
• Heavy Atom Count: 49
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NOC(=N1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

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

There total 4 articles about 3,5-Bis(pentadecafluoroheptyl)-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:

perfluorooctanenitrile (647-12-1) → 3,5-Bis(perfluor-n-heptyl)-1,2,4-oxadiazol (4314-47-0)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₂OH*HCl, NaOMe / methanol

3: P₂O₅

With hydroxylamine hydrochloride; sodium methylate; phosphorus pentoxide; In methanol;

DOI:10.1021/jo01022a033

Reference yield:

pentadeca-C-fluoro-N-pentadecafluorooctanoyloxy-octanimidic acid amide (4314-41-4) → 3,5-Bis(perfluor-n-heptyl)-1,2,4-oxadiazol (4314-47-0)

Guidance literature:

With phosphorus pentoxide;

DOI:10.1021/jo01022a033

Reference yield:

pentadecafluoroheptyl amidoxime (4314-38-9) → 3,5-Bis(perfluor-n-heptyl)-1,2,4-oxadiazol (4314-47-0)

Guidance literature:

Multi-step reaction with 2 steps

2: P₂O₅

With phosphorus pentoxide;

DOI:10.1021/jo01022a033

upstream raw materials:

pentadeca-C-fluoro-N-pentadecafluorooctanoyloxy-octanimidic acid amide

perfluorooctanenitrile

pentadecafluoroheptyl amidoxime

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