N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine

Base Information

• Chemical Name: N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine
• CAS No.: 5805-58-3
• Molecular Formula: C₁₂H₁₇N₃
• Molecular Weight: 203.287
• DSSTox Substance ID: DTXSID901265672
• Nikkaji Number: J2.681.175I
• Mol file: 5805-58-3.mol

Synonyms:N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine;Oprea1_317797;Oprea1_465407;5805-58-3;SCHEMBL10144030;DTXSID901265672;HMS1677E08;STK709198;AKOS000540853;CCG-103424;N,N-Diethyl-1H-benzimidazole-2-methanamine;N,N-Diethyl-1H-benzoimidazole-2-methaneamine;SR-01000391107;SR-01000391107-1;(1H-1,3-BENZODIAZOL-2-YLMETHYL)DIETHYLAMINE

Chemical Property of N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 203.142247555
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

N-(1H-BENZIMIDAZOL-2-YLMETHYL)-N-ETHYLETHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC1=NC2=CC=CC=C2N1

Technology Process of N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine

There total 3 articles about N-(1H-benzimidazol-2-ylmethyl)-N-ethylethanamine 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-chloromethyl-1H-benzimidazole (4857-04-9) + diethylamine (109-89-7) → (1H-benzimidazol-2-ylmethyl)diethylamine (5805-58-3)

Guidance literature:

diethylamine; With potassium carbonate; In acetone; for 0.0833333h;

2-chloromethyl-1H-benzimidazole; In acetone; at 20 ℃; for 8h;

Reference yield:

1,2-diamino-benzene (95-54-5) → (1H-benzimidazol-2-ylmethyl)diethylamine (5805-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl

With hydrogenchloride;

DOI:10.1021/jo01213a002

Reference yield:

N-(3-aminophenyl)-2-(diethylamino)acetamide (856047-84-2) → (1H-benzimidazol-2-ylmethyl)diethylamine (5805-58-3)

Guidance literature:

With sodium acetate; acetic acid;

upstream raw materials:

2-chloromethyl-1H-benzimidazole

diethylamine

N-(3-aminophenyl)-2-(diethylamino)acetamide

1,2-diamino-benzene

Refernces

• 1、 Zaher, Damien,Tomov, Atanas K.,Gibson, Vernon C.,White, Andrew J.P.. "Titanium complexes bearing bidentate benzimidazole-containing ligands and their behavior in ethylene polymerization". experimental part. p. 3889 - 3896. Retrieved 2009/04/06.