Benzimidazole, 5-iodo-2-(trifluoromethyl)-

Base Information

• Chemical Name: Benzimidazole, 5-iodo-2-(trifluoromethyl)-
• CAS No.: 3765-86-4
• Molecular Formula: C8H4F3IN2
• Molecular Weight: 312.033
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90191077
• Wikidata: Q83063562
• Mol file: 3765-86-4.mol

Synonyms:3765-86-4;5-Iodo-2-(trifluoromethyl)-1H-benzo[d]imidazole;BENZIMIDAZOLE, 5-IODO-2-(TRIFLUOROMETHYL)-;6-iodo-2-(trifluoromethyl)-1H-benzimidazole;5-Iodo-2-(trifluoromethyl)benzimidazole;SCHEMBL11742667;DTXSID90191077;VWPQFAPZLPFZDE-UHFFFAOYSA-N;C8-H4-F3-I-N2;LS-33001;1H-Benzimidazole,5-iodo-2-(trifluoromethyl)-

Chemical Property of Benzimidazole, 5-iodo-2-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Boiling Point: 347.3°C at 760 mmHg
• Flash Point: 163.9°C
• PSA: 28.68000
• Density: 2.07g/cm³
• LogP: 3.18630
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 311.93713
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

95% ^*data from raw suppliers

5-Iodo-2-(trifluoromethyl)-1H-benzo[d]imidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)NC(=N2)C(F)(F)F

Technology Process of Benzimidazole, 5-iodo-2-(trifluoromethyl)-

There total 1 articles about Benzimidazole, 5-iodo-2-(trifluoromethyl)- 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:

4-iodo-2-nitroaniline (20691-72-9) → 2-(trifluoromethyl)-5-iodo-1H-benzimidazole (3765-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: stannous chloride hydrate; hydrogenchloride / water / 3 h / 25 - 65 °C / Inert atmosphere

2: hydrogenchloride / water / 12 h / 80 °C / Inert atmosphere

With hydrogenchloride; stannous chloride hydrate; In water;

DOI:10.1002/chem.201601505

Reference yield: 70.0%

tetrakis(triphenylphosphine) palladium(0) (14221-01-3) + C73H78N6O13Zn + 2-(trifluoromethyl)-5-iodo-1H-benzimidazole (3765-86-4) → (tetraethyl 4,4',4'',4'''-{[10-(2-(phenylethynyl)-5-{[6-(1H-imidazol-1-yl)hexyl]oxy}phenyl)porphyrin-5,15-diyl-κN21,κN22,κN23,κN24]bis[benzene-2,1,3-triylbis(oxy)]}tetrabutanoato(2-))zinc + (tetraethyl 4,4',4'',4'''-{[10-(2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-6-ylethynyl)-5-{[6-(1H-imidazol-1-yl)hexyl]oxy}phenyl)porphyrin-5,15-diyl-κN21,κN22,κN23,κN24]bis[benzene-2,1,3-triylbis(oxy)]}tetrabutanoato(2-))zinc

Guidance literature:

With copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 25 - 80 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201601505

upstream raw materials:

4-iodo-2-nitroaniline

Refernces