2-(Tridecafluorohexyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(Tridecafluorohexyl)-1H-benzimidazole
• CAS No.: 119403-54-2
• Molecular Formula: C13H5 F13 N2
• Molecular Weight: 436.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10555314
• Wikidata: Q82436627
• Mol file: 119403-54-2.mol

Synonyms:119403-54-2;2-(Tridecafluorohexyl)-1H-benzimidazole;2-(PERFLUOROHEXYL)BENZIMIDAZOLE;2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)-1H-benzimidazole;1H-Benzimidazole, 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-;DTXSID10555314;AKOS007930023;2-(perfluorohexyl)-1H-benzo[d]imidazole;NS00109173

Chemical Property of 2-(Tridecafluorohexyl)-1H-benzimidazole

Chemical Property:

• PSA: 28.68000
• LogP: 5.75820
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 436.0245143
• Heavy Atom Count: 28
• Complexity: 586

Purity/Quality:

99% ^*data from raw suppliers

2-(PERFLUOROHEXYL)BENZIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 2-(Tridecafluorohexyl)-1H-benzimidazole

There total 3 articles about 2-(Tridecafluorohexyl)-1H-benzimidazole 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: 83.0%

2-Acetyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-oxo-nonanoic acid ethyl ester (115479-07-7) + 1,2-diamino-benzene (95-54-5) → ethyl acetoacetate (141-97-9) + 2-(perfluorohexyl)benzimidazole (119403-54-2)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1007/BF00961931

Reference yield: 77.0%

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexanone (141478-89-9) + 1,2-diamino-benzene (95-54-5) → 2-(perfluorohexyl)benzimidazole (119403-54-2)

Guidance literature:

With acetic acid; In methanol; for 72h;

DOI:10.1007/BF02496178

Reference yield: 53.0%

perfluoroheptanoic acid (375-85-9) + 1,2-diamino-benzene (95-54-5) → 2-(perfluorohexyl)benzimidazole (119403-54-2)

Guidance literature:

DOI:10.1016/S0022-1139(00)80026-3

upstream raw materials:

perfluoroheptanoic acid

1,2-diamino-benzene

2-Acetyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-oxo-nonanoic acid ethyl ester

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexanone

Refernces

• 1、 Buerger, Wolfgang,Lunkwitz, Klaus. "Reaktionen terminaler Perfluoroalkene mit Diaminen und Diphenolen". . p. 125 - 134. Retrieved 2007/10/02.