2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole

Base Information

• Chemical Name: 2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole
• CAS No.: 76145-90-9
• Molecular Formula: C₁₅H₅F₁₇N₂O₂
• Molecular Weight: 568.19
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID80508892
• Mol file: 76145-90-9.mol

Synonyms:76145-90-9;PERFLUORO(5-METHYL-3,6-DIOXANONAN-2-YL)-2-1H-BENZIMIDAZOLE;2-[Perfluoro(5-methyl-3,6-dioxanonan-2-yl)]-1H-benzimidazole;2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1H-benzimidazole;2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole;2-[1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl]-1H-benzimidazole;DTXSID80508892;NS00111592

Chemical Property of 2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.393
• Boiling Point: 372.988°C at 760 mmHg
• Flash Point: 179.377°C
• PSA: 47.14000
• Density: 1.704g/cm³
• LogP: 6.89200
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 7
• Exact Mass: 568.0079562
• Heavy Atom Count: 36
• Complexity: 796

Purity/Quality:

99% ^*data from raw suppliers

Perfluoro(5-methyl-3,6-dioxanonan-2-yl)-2-1H-benzimidazole ^*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(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F

Technology Process of 2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole

There total 4 articles about 2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-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: 93.0%

N-(2-Amino-phenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-propionamide (76145-89-6) → 2-[1,2,2,2-Tetrafluoro-1-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-ethyl]-1H-benzoimidazole (76145-90-9)

Guidance literature:

With PPA; at 130 ℃; for 3h;

DOI:10.1016/S0022-1139(00)82615-9

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-[1,2,2,2-Tetrafluoro-1-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-ethyl]-1H-benzoimidazole (76145-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / n-C₄H₉Li / diethyl ether / 24 h / Ambient temperature

2: 93 percent / polyphosphoric acid / 3 h / 130 °C

With n-butyllithium; PPA; In diethyl ether;

DOI:10.1016/S0022-1139(00)82615-9

Reference yield:

2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid ethyl ester (76145-88-5) → 2-[1,2,2,2-Tetrafluoro-1-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-ethyl]-1H-benzoimidazole (76145-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / n-C₄H₉Li / diethyl ether / 24 h / Ambient temperature

2: 93 percent / polyphosphoric acid / 3 h / 130 °C

With n-butyllithium; PPA; In diethyl ether;

DOI:10.1016/S0022-1139(00)82615-9

upstream raw materials:

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride

1,2-diamino-benzene

N-(2-Amino-phenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-heptafluoropropyloxy-propoxy)-propionamide

2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid ethyl ester

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