3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol

Base Information

• Chemical Name: 3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol
• CAS No.: 121356-81-8
• Molecular Formula: C17H18N2O
• Molecular Weight: 266.343
• DSSTox Substance ID: DTXSID00386790
• Nikkaji Number: J1.936.061J
• Wikidata: Q82180459
• ChEMBL ID: CHEMBL1895797
• Mol file: 121356-81-8.mol

Synonyms:3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol;121356-81-8;3-(1-benzylbenzimidazol-2-yl)propan-1-ol;3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol;CBMicro_035095;Cambridge id 5849395;Oprea1_289974;Oprea1_417506;3-(1-Benzyl-1H-benzoimidazol-2-yl)-propan-1-ol;MLS001212823;F0852-0112;SCHEMBL9740603;CHEMBL1895797;DTXSID00386790;HMS2836G06;MFCD01559260;STK726799;AKOS000646979;1-(phenylmethyl)-2-benzimidazolepropanol;BS-36806;SMR000515797;BIM-0034934.P001;EN300-236099;3-(1-Benzyl-1H-benzimidazol-2-yl)-1-propanol;AB00099215-01;3-(1-Benzyl-1H-benzimidazole-2-yl)-1-propanol;SR-01000446474;3-(1-benzyl-1H-benzo[d]imidazol-2-yl)propan-1-ol;SR-01000446474-1;3-(1-benzyl-1H-1,3-benzimidazol-2-yl)-1-propanol;Propan-1-ol, 3-(1-benzyl-1H-benzoimidazol-2-yl)-;Z56773084

Chemical Property of 3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol

Chemical Property:

• Vapor Pressure: 6.35E-11mmHg at 25°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 266.141913202
• Heavy Atom Count: 20
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCCO

Technology Process of 3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol

There total 2 articles about 3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol 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: 46.0%

2-(3-hydroxypropyl)benzimidazole (2403-66-9) + benzyl bromide (100-39-0) → 3-(1'-benzyl-1'H-benzimidazol-2'-yl)propan-1-ol (121356-81-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 1.5h; Heating;

DOI:10.1071/CH03012

Reference yield:

1,2-diamino-benzene (95-54-5) → 3-(1'-benzyl-1'H-benzimidazol-2'-yl)propan-1-ol (121356-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / hydrochloric acid / H₂O / 2 h / Heating

2: 46 percent / potassium carbonate / acetonitrile / 1.5 h / Heating

With hydrogenchloride; potassium carbonate; In water; acetonitrile;

DOI:10.1071/CH03012

Reference yield: 82.0%

3-(1'-benzyl-1'H-benzimidazol-2'-yl)propan-1-ol (121356-81-8) → 3-(1-benzyl-1H-benzo[d]imidazol-2-yl)propanal (1568975-64-3)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 4h;

upstream raw materials:

2-(3-hydroxypropyl)benzimidazole

benzyl bromide

1,2-diamino-benzene

Downstream raw materials:

3-(1-benzyl-1H-benzo[d]imidazol-2-yl)propanal

3-(1-benzyl-1H-benzo[d]imidazol-2-yl)-N-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)propan-1-amine