[(Z)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate

Base Information

• Chemical Name: [(Z)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate
• CAS No.: 146304-61-2
• Molecular Formula: C₁₄H₈F₁₃N₃O
• Molecular Weight: 481.216
• DSSTox Substance ID: DTXSID40896202
• Mol file: 146304-61-2.mol

Synonyms:DTXSID40896202;146304-61-2

Chemical Property of [(Z)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 481.0459780
• Heavy Atom Count: 31
• Complexity: 696

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NOC(=N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N/OC(=N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/N

Technology Process of [(Z)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate

There total 1 articles about [(Z)-[amino(phenyl)methylidene]amino] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidate 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: 99.0%

Perfluorohexanecarboxylic acid nitrile (62038-08-8) + N-hydroxybenzenecarboximidamide (613-92-3) → C14H8F13N3O (146304-61-2)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1007/BF00864345

Reference yield: 99.0%

C14H8F13N3O (146304-61-2) → 5-perfluorohexyl-3-phenyl-1,2,4-oxadiazole

Guidance literature:

With pyridine; difluoro-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-trifluoromethoxy-ethoxy)-ethoxy]-ethoxy}-acetyl fluoride; at 65 ℃; for 2h;

DOI:10.1007/BF00864345

Reference yield:

C14H8F13N3O (146304-61-2) + trifluoroacetic anhydride (407-25-0) → 3-phenyl-5-trifluoromethyl-1,2,4-oxadiazole (1736-55-6) + 5-perfluorohexyl-3-phenyl-1,2,4-oxadiazole

Guidance literature:

With pyridine; at 20 ℃; for 5h;

DOI:10.1007/BF00864345

upstream raw materials:

Perfluorohexanecarboxylic acid nitrile

N-hydroxybenzenecarboximidamide

Downstream raw materials:

3-phenyl-5-trifluoromethyl-1,2,4-oxadiazole