Benzimidazole, 1-(2-aminoethyl)-

Base Information

• Chemical Name: Benzimidazole, 1-(2-aminoethyl)-
• CAS No.: 55661-34-2
• Molecular Formula: C9H11 N3
• Molecular Weight: 161.206
• Hs Code.: 2933990090
• European Community (EC) Number: 831-002-7
• DSSTox Substance ID: DTXSID20204184
• Nikkaji Number: J62.258C
• Wikidata: Q83077632
• Mol file: 55661-34-2.mol

Synonyms:55661-34-2;2-(1H-Benzimidazol-1-yl)ethanamine;BENZIMIDAZOLE, 1-(2-AMINOETHYL)-;112947-93-0;2-(benzimidazol-1-yl)ethanamine;2-(1H-Benzo[d]imidazol-1-yl)ethanamine;1-(2-Aminoethyl)benzimidazole;2-(1H-1,3-BENZODIAZOL-1-YL)ETHAN-1-AMINE;BRN 0131931;2-(BENZOIMIDAZOLE-1-YL)-ETHYLAMINE;1H-Benzimidazole-1-ethanamine(9CI);2-(1H-benzo[d]imidazol-1-yl)ethan-1-amine;1H-Benzimidazole-1-ethanamine;4-23-00-01082 (Beilstein Handbook Reference);EC-000.1383;SCHEMBL825596;2-Benzoimidazol-1-yl-ethylamine;DTXSID20204184;2-(benzoimidazol-1-yl)ethylamine;2-(benzoimidazole-1-yl)ethylamine;1-(2-Aminoethyl)-1H-benzimidazole;BBL029140;STL199548;AKOS000138128;AB07995;LS-32622;BB 0216589;FT-0678430;FT-0752874;EN300-57356;W-204802;F2158-0098

Chemical Property of Benzimidazole, 1-(2-aminoethyl)-

Chemical Property:

• Vapor Pressure: 0.000257mmHg at 25°C
• Boiling Point: 323.8°Cat760mmHg
• Flash Point: 149.6°C
• PSA: 43.84000
• Density: 1.21g/cm³
• LogP: 1.69530
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

2-(1H-Benzimidazol-1-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CN2CCN

Technology Process of Benzimidazole, 1-(2-aminoethyl)-

There total 16 articles about Benzimidazole, 1-(2-aminoethyl)- 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: 76.0%

2-(1H-benzo[d]imidazol-1-yl)acetonitrile (4414-74-8) → 2-Benzimidazol-1-ylethylamine (55661-34-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Reflux;

DOI:10.1021/acschemneuro.0c00624

Reference yield: 52.0%

benzoimidazole (51-17-2,79351-71-6) + (2-chloroethyl)dimethylamine hydrochloride (4584-46-7) → 2-Benzimidazol-1-ylethylamine (55661-34-2)

Guidance literature:

benzoimidazole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 0.5h;

(2-chloroethyl)dimethylamine hydrochloride; With potassium iodide; In N,N-dimethyl-formamide; mineral oil; at 80 ℃; for 3h;

Reference yield:

benzoimidazole (51-17-2,79351-71-6) + chloroethylamine (689-98-5) → 2-Benzimidazol-1-ylethylamine (55661-34-2)

Guidance literature:

benzoimidazole; With sodium hydroxide; In toluene; at 25 - 75 ℃; for 0.5h;

chloroethylamine; In toluene; acetonitrile; at 75 ℃; for 7.5h;

upstream raw materials:

formic acid

N-(2-aminophenyl)ethylenediamine

3-(1H-benzo[d]imidazol-1-yl)propanamide

N-(2-nitrophenyl)ethylenediamine

Downstream raw materials:

1-(2-methylamino-ethyl)-1H-benzo[d]imidazole

N-(2-(1H-benzo[d]imidazol-1-yl)ethyl)-4-(diethylamino)benzamide

N-(2-benzimidazol-1-yl-ethyl)-formamide

Refernces

• 1、 -. "Benzocarbazoles heterocyclic compound and its preparation and use (by machine translation)". Paragraph 0165-0169. . Retrieved 2016/10/07.
• 2、 -. "(2-aminoethyl)-N hydrofluorination compd. manufacturing method". Paragraph 0036. . Retrieved 2016/12/12.