(1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride

Base Information

• Chemical Name: (1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride
• CAS No.: 164648-60-6
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10469104
• Mol file: 164648-60-6.mol

Synonyms:(1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride;1H-BENZIMIDAZOL-5-YLMETHYLAMINE HYDROCHLORIDE;779353-78-5;3H-benzimidazol-5-ylmethanamine;hydrochloride;1-(1H-1,3-BENZODIAZOL-5-YL)METHANAMINE HYDROCHLORIDE;SCHEMBL3632899;DTXSID10469104;RKFITBVNDVXCSN-UHFFFAOYSA-N;AKOS015849573;CS-0270678;1H-Benzimidazol-5-ylmethanamine hydrochloride;EN300-246544;1H-1,3-benzodiazol-6-ylmethanamine hydrochloride;(1H-1,3-benzodiazol-5-yl)methanamine hydrochloride;(1H-Benzo[d]imidazol-5-yl)methanaminehydrochloride;(1h-Benzo[d]imidazol-6-yl)methanamine hydrochloride

Chemical Property of (1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride

Chemical Property:

• Boiling Point: 432.844 °C at 760 mmHg
• PKA: 12.79±0.10(Predicted)
• Flash Point: 245.506 °C
• PSA: 54.70000
• Density: 1.279 g/cm³
• LogP: 1.72190
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 183.0563250
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

(1H-Benzo[d]imidazol-5-yl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1CN)NC=N2.Cl

Technology Process of (1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride

There total 3 articles about (1H-Benzo[d]imidazol-5-yl)methanamine hydrochloride 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: 67.0%

(1H-benzo[d]imidazol-6-yl)methanol (106429-29-2) → 1H-1,3-benzodiazol-6-ylmethanamine (164648-60-6)

Guidance literature:

(1H-benzo[d]imidazol-6-yl)methanol; With diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 4h;

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 96h;

Reference yield:

6-azidomethyl-1H-benzo [d]imidazole (267875-43-4) → 1H-1,3-benzodiazol-6-ylmethanamine (164648-60-6)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; at 20 ℃;

Reference yield:

5-benzimidazolecarboxylic acid (15788-16-6) → 1H-1,3-benzodiazol-6-ylmethanamine (164648-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 96 h / 0 - 20 °C

2.1: diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 4 h / 20 °C

2.2: 96 h / 20 °C

With lithium aluminium tetrahydride; diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;

upstream raw materials:

6-azidomethyl-1H-benzo [d]imidazole

5-benzimidazolecarboxylic acid

(1H-benzo[d]imidazol-6-yl)methanol

Downstream raw materials:

N-(1H-1,3-benzodiazol-6-ylmethyl)-4-(4-fluorophenoxy)piperidine-1-carboxamide

Refernces

• 1、 -. "NOVEL JNK INHIBITORS". Page/Page column 97; 98. . Retrieved 2008/12/07.