(5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine

Base Information

• Chemical Name: (5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine
• CAS No.: 273399-95-4
• Molecular Formula: C8H8ClN3
• Molecular Weight: 181.625
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID50424373
• Wikidata: Q72517189
• ChEMBL ID: CHEMBL4524620
• Mol file: 273399-95-4.mol

Synonyms:273399-95-4;(5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine;C-(5-Chloro-1H-benzoimidazol-2-yl)-methylamine;(6-Chloro-1h-Benzo[D]Imidazol-2-Yl)Methanamine;(6-chloro-1H-benzimidazol-2-yl)methanamine;1-(5-chloro-1H-benzimidazol-2-yl)methanamine;1H-BENZIMIDAZOLE-2-METHANAMINE, 5-CHLORO-;1-(6-chloro-1H-benzimidazol-2-yl)methanamine;[(5-Chloro-1H-benzimidazol-2-yl)methyl]amine dihydrochloride;(5-chlorobenzimidazol-2-yl)methylamine;1H-Benzimidazole-2-methanamine, 6-chloro-;(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine;SCHEMBL4151145;CHEMBL4524620;DTXSID50424373;WVBPEUGZSSDGPT-UHFFFAOYSA-N;AMY26830;CS-D0569;MFCD09038197;STK691786;AKOS000302907;AB43009;CCG-355635;A5317;BB 0237453;FT-0737018;C-(5-chloro-1H-benzimidazol-2-yl)methylamine;c-(5-chloro-1h-benzoimidazol-2-yl)methylamine;EN300-146244;C-(5-chloro-1H-benzimidazol-2-yl )-methylamine;C-(5-chloro-1H-benzimidazol-2-yl)-methylamine;(5-CHLORO-1H-BENZIMIDAZOL-2-YL)METHYLAMINE;[(5-chloro-1H-benzimidazol-2-yl)methyl]amine diHYDROCHLORIDE Salt;(5-Chloro-1H-benzimidazol-2-yl)methylamine dihydrochloride, AldrichCPR

Chemical Property of (5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 3.58E-07mmHg at 25°C
• Refractive Index: 1.716
• Boiling Point: 417.3 °C at 760 mmHg
• PKA: 11.96±0.29(Predicted)
• Flash Point: 206.2 °C
• PSA: 54.70000
• Density: 1.429 g/cm³
• LogP: 2.37530
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.0406750
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

(5-chloro-1H-benzo[d]imidazol-2-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=C1Cl)NC(=N2)CN

Technology Process of (5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine

There total 9 articles about (5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine 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: 100.0%

N-tert.-butoxycarbonyl-C-(5-chloro-1H-benzimidazol-2-yl)-methylamine → (5-chloro-1H-benzo[d]imidazol-2-yl)methanamine (273399-95-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 2h;

Reference yield: 85.0%

tert-butyl ((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)carbamate (712275-17-7) → (6-chloro-1H-benzo[d]imidazol-2-yl)methanamine (273399-95-4)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 1h;

DOI:10.1039/d0ra10189c

Reference yield: 85.0%

→ (6-chloro-1H-benzo[d]imidazol-2-yl)methanamine (273399-95-4)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 1h;

upstream raw materials:

(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride salt

4-Chloro-1,2-phenylenediamine

glycine

BOC-glycine

Downstream raw materials:

tert-butyl ((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)carbamate

3-chloro-N-(5-chloro-1H-benzoimidazol-2-yl-methyl)-4-methoxycarbonyl-benzamide