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

Base Information

• Chemical Name: 2,5-Bis(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
• CAS No.: 891-87-2
• Molecular Formula: C6F10N2O
• Molecular Weight: 306.063
• NSC Number: 60317
• UNII: MS4ZE6X3RS
• DSSTox Substance ID: DTXSID00237536
• Nikkaji Number: J3.566.646J
• Wikidata: Q83119726
• Mol file: 891-87-2.mol

Synonyms:2,5-Bis(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole;891-87-2;MS4ZE6X3RS;NSC60317;UNII-MS4ZE6X3RS;NSC 60317;NSC-60317;NCIOpen2_007823;SCHEMBL2161188;DTXSID00237536;VQOIQMXVVLTDAI-UHFFFAOYSA-N;MFCD29066680;2,5-Bis(pentafluoroethyl)-1,3,4-oxadiazole;1,3,4-OXADIAZOLE, 2,5-BIS(1,1,2,2,2-PENTAFLUOROETHYL)-

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

Chemical Property:

• Vapor Pressure: 30.9mmHg at 25°C
• Boiling Point: 108°Cat760mmHg
• Flash Point: 19.1°C
• Density: 1.694g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 305.98509425
• Heavy Atom Count: 19
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NN=C(O1)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F

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

There total 6 articles about 2,5-Bis(1,1,2,2,2-pentafluoroethyl)-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: 86.0%

2,2,3,3,3-pentafluoropropanoic anhydride (356-42-3) + sodium 5-(pentafluoroethyl)tetrazolate (124044-31-1) → 2,5-bis(perfluoroethyl)-1,3,4-oxadiazole (891-87-2)

Guidance literature:

2,2,3,3,3-pentafluoropropanoic anhydride; sodium 5-(pentafluoroethyl)tetrazolate; at 20 - 120 ℃; for 6h;

With sodium carbonate; at 20 ℃; for 12h;

DOI:10.1016/j.jfluchem.2016.01.006

Reference yield: 78.0%

bis-pentafluoroethylhydrazide (755-76-0) → 2,5-bis(perfluoroethyl)-1,3,4-oxadiazole (891-87-2)

Guidance literature:

With sulfuric acid; Ambient temperature;

DOI:10.1016/S0022-1139(00)80860-X

Reference yield:

2,2,3,3,3-pentafluoropropionyl chloride (422-59-3) + sodium 5-(pentafluoroethyl)tetrazolate (124044-31-1) → 2,5-bis(perfluoroethyl)-1,3,4-oxadiazole (891-87-2) + pentafluoropropionitrile (422-04-8) + 2,2,3,3,3-Pentafluoro-propionyl azide

Guidance literature:

DOI:10.1016/S0022-1139(00)82383-0

upstream raw materials:

pentafluoropropionic acid

2,2,3,3,3-pentafluoropropionyl chloride

sodium 5-(pentafluoroethyl)tetrazolate

2,2,3,3,3-pentafluoropropanoic anhydride