1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-

Base Information

• Chemical Name: 1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
• CAS No.: 120493-19-8
• Molecular Formula: C5H2F3N5O2
• Molecular Weight: 221.09700
• DSSTox Substance ID: DTXSID10365495
• Wikidata: Q82150220
• Mol file: 120493-19-8.mol

Synonyms:120493-19-8;4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine;1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-;4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine;DTXSID10365495;ICTOYZCSUXUHIN-UHFFFAOYSA-N;MFCD00194615;STK346837;AKOS003594544;CS-0241126;EN300-231514;4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)furazan-3-amine;Furazane, 3-amino-4-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)-

Chemical Property of 1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-

Chemical Property:

• PSA: 103.86000
• LogP: 1.30180
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 221.01605881
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NON=C1N)C2=NOC(=N2)C(F)(F)F

Technology Process of 1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-

There total 2 articles about 1,2,5-Oxadiazol-3-amine, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-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: 72.0%

4-amino-N-hydroxy-furazan-3-carboxamidine (13490-32-9) + trifluoroacetic anhydride (407-25-0) → 3-(4-aminofurazan-3-yl)-5-trifluoromethyl-1,2,4-oxadiazole (120493-19-8)

Guidance literature:

4-amino-N-hydroxy-furazan-3-carboxamidine; trifluoroacetic anhydride; In toluene; for 3h; Reflux;

In methanol; water; for 1h; Reflux;

DOI:10.1007/s10593-015-1707-4

Reference yield: 63.0%

4-trifluoroacetamidofurazan-3-carboxyamid-O-trifluoroacetyloxime → 3-(4-aminofurazan-3-yl)-5-trifluoromethyl-1,2,4-oxadiazole (120493-19-8)

Guidance literature:

In toluene; for 3h; Heating;

DOI:10.1007/BF01169945

Reference yield: 65.0%

3-(4-aminofurazan-3-yl)-5-trifluoromethyl-1,2,4-oxadiazole (120493-19-8) → 4-amino-N-hydroxy-furazan-3-carboxamidine (13490-32-9)

Guidance literature:

With hydrazine hydrate; In methanol; at 40 - 45 ℃; for 0.5h;

DOI:10.1007/s10593-015-1707-4

upstream raw materials:

4-amino-N-hydroxy-furazan-3-carboxamidine

trifluoroacetic anhydride

Downstream raw materials:

4-amino-N-hydroxy-furazan-3-carboxamidine