1-benzyl-1H-benzimidazol-5-amine

Base Information

• Chemical Name: 1-benzyl-1H-benzimidazol-5-amine
• CAS No.: 26530-89-2
• Molecular Formula: C14H13 N3
• Molecular Weight: 223.277
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60360197
• Wikidata: Q82141818
• Mol file: 26530-89-2.mol

Synonyms:26530-89-2;1-benzyl-1H-benzimidazol-5-amine;1-benzyl-1H-1,3-benzimidazol-5-amine;1-benzylbenzimidazol-5-amine;1-benzyl-1H-1,3-benzodiazol-5-amine;1-benzyl-5-aminobenzimidazole;1-benzyl-1H-benzo[d]imidazol-5-amine;1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE;1-Benzyl-1H-benzoimidazol-5-ylamine;SCHEMBL3761479;DTXSID60360197;FCQCJIKCEPOTMJ-UHFFFAOYSA-N;MFCD04596880;STL259676;AKOS000104449;AD-0792;CS-0323831;FT-0677667;J-504250

Chemical Property of 1-benzyl-1H-benzimidazol-5-amine

Chemical Property:

• Boiling Point: 462.5±47.0 °C(Predicted)
• PKA: 5.97±0.10(Predicted)
• PSA: 43.84000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 3.24800
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.110947427
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

1-benzyl-1H-1,3-benzimidazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)N

Technology Process of 1-benzyl-1H-benzimidazol-5-amine

There total 3 articles about 1-benzyl-1H-benzimidazol-5-amine 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:

benzyl bromide (100-39-0) + 5-nitrobenzimidazole (94-52-0) → 3-benzyl-3H-benzimidazol-5-amine (177843-54-8) + 1-benzyl-1H-benzimidazol-5-amine (26530-89-2)

Guidance literature:

benzyl bromide; 5-nitrobenzimidazole; With potassium carbonate; In butanone; for 3h; Heating;

With tin(ll) chloride; In ethanol; for 3h; Further stages.; Heating;

DOI:10.1016/j.bmc.2008.02.020

Reference yield:

benzyl bromide (100-39-0) + 5-nitrobenzimidazole (94-52-0) → 1-benzyl-1H-benzimidazol-5-amine (26530-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 88 h / 20 °C

2: ethanol; tin(ll) chloride / Heating / reflux

With ethanol; potassium carbonate; tin(ll) chloride; In N,N-dimethyl-formamide;

Reference yield:

→ 1-benzyl-1H-benzimidazol-5-amine (26530-89-2)

Guidance literature:

1-Benzylamino-2,4-dinitrobenzol, Ra-Ni/H2;

DOI:10.1007/BF00477400

upstream raw materials:

benzyl bromide

5-nitrobenzimidazole

Downstream raw materials:

6-benzyl-6H-imidazo[4',5':3,4]benzo[1,2-d]thiazol-2-ylamine

(1-Benzyl-1H-benzoimidazol-5-yl)-hydrazine; hydrochloride

3-Benzyl-8-methyl-7-phenyl-3,6-dihydro-imidazo[4,5-e]indole

3-Benzyl-7,8-dimethyl-3,6-dihydro-imidazo[4,5-e]indole