2-Ethyl-3H-benzoimidazol-5-ylamine

Base Information

• Chemical Name: 2-Ethyl-3H-benzoimidazol-5-ylamine
• CAS No.: 46055-62-3
• Molecular Formula: C9H11N3
• Molecular Weight: 161.20400
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10389136
• Wikidata: Q82184604
• Mol file: 46055-62-3.mol

Synonyms:46055-62-3;2-Ethyl-3H-benzoimidazol-5-ylamine;2-ethyl-3H-benzimidazol-5-amine;2-Ethyl-1H-benzo[d]imidazol-6-amine;2-ethyl-1H-benzimidazol-6-amine;2-ethyl-1H-benzimidazol-5-amine;MFCD00462860;Oprea1_809245;2-ethyl-5-aminobenzimidazole;SCHEMBL521119;DTXSID10389136;RJAJOQCGFBMAKT-UHFFFAOYSA-N;HMS1697K14;WBA05562;2-Ethyl-1H-benzoimidazol-5-ylamine;MFCD08688845;STL482510;AKOS000189124;AKOS000668932;2-ethyl-1H-1,3-benzodiazol-5-amine;CCG-344402;FS-6399;EN300-186742

Chemical Property of 2-Ethyl-3H-benzoimidazol-5-ylamine

Chemical Property:

• PSA: 54.70000
• LogP: 2.28870
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

2-ethyl-1H-benzimidazol-6-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=C(N1)C=C(C=C2)N

Technology Process of 2-Ethyl-3H-benzoimidazol-5-ylamine

There total 3 articles about 2-Ethyl-3H-benzoimidazol-5-ylamine 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: 74.0%

5-nitro-2-ethyl-1H-benzo[d]imidazole (5805-42-5) → 2-ethyl-1H-benzo[d]imidazol-5-amine (46055-62-3)

Guidance literature:

With hydrogenchloride; zinc; In water; for 1h; Reflux;

DOI:10.5012/jkcs.2011.55.4.650

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-ethyl-1H-benzo[d]imidazol-5-amine (46055-62-3)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water

2: nitric acid; sulfuric acid / 5 - 10 °C

3: hydrogenchloride; zinc / water / Reflux

With hydrogenchloride; sulfuric acid; nitric acid; zinc; In water;

Reference yield:

→ 2-ethyl-1H-benzo[d]imidazol-5-amine (46055-62-3)

Guidance literature:

1,3,4-Triaminobenzol, Propionsaeure, Erhitzen;

upstream raw materials:

5-nitro-2-ethyl-1H-benzo[d]imidazole

1,2-diamino-benzene

Downstream raw materials:

2-ethyl-5-(phthaloyl-L-phenylalanyl)-amino benzimidazole

2-ethyl-5-(L-phenylalanyl)-amino benzimidazole