1H-Benzimidazole-2-propanol, 5-bromo-

Base Information

• Chemical Name: 1H-Benzimidazole-2-propanol, 5-bromo-
• CAS No.: 540516-31-2
• Molecular Formula: C10H11BrN2O
• Molecular Weight: 255.11100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70400114
• Nikkaji Number: J1.936.068G
• Wikidata: Q82202945
• Mol file: 540516-31-2.mol

Synonyms:540516-31-2;3-(5-Bromo-1H-benzo[d]imidazol-2-yl)propan-1-ol;1H-Benzimidazole-2-propanol, 5-bromo-;DTXSID70400114;STK914279;AKOS002675666;NCGC00326837-01;3-(5-bromo-1H-benzimidazol-2-yl)propan-1-ol;3-(5-Bromo-1H-benzimidazole-2-yl)-1-propanol;AB01321524-02;3-(5-Bromo-1H-benzoimidazol-2-yl)-propan-1-ol;Z1269127405

Chemical Property of 1H-Benzimidazole-2-propanol, 5-bromo-

Chemical Property:

• PSA: 48.91000
• LogP: 2.25030
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 254.00548
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

3-(5-Bromo-1H-benzo[d]imidazol-2-yl)propan-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=N2)CCCO

Technology Process of 1H-Benzimidazole-2-propanol, 5-bromo-

There total 1 articles about 1H-Benzimidazole-2-propanol, 5-bromo- 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: 89.0%

4-butanolide (96-48-0) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 3-(5'-bromo-1'H-benzimidazol-2'-yl)propan-1-ol (540516-31-2)

Guidance literature:

With hydrogenchloride; In water; for 2.5h; Heating;

DOI:10.1071/CH03012

Reference yield:

benzyl bromide (100-39-0) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) + 3-(5'-bromo-1'H-benzimidazol-2'-yl)propan-1-ol (540516-31-2) → methyl 4-[3'-(1'-benzyl-1'H-benzimidazol-2'-yl)propyloxy]benzoate

Guidance literature:

benzyl bromide; 3-(5'-bromo-1'H-benzimidazol-2'-yl)propan-1-ol; With potassium carbonate; In acetonitrile; for 3h; Heating;

methyl 4-hydroxylbenzoate; With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 2h;

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; for 22h; under 760 Torr;

DOI:10.1071/CH03012

Reference yield:

3-(5'-bromo-1'H-benzimidazol-2'-yl)propan-1-ol (540516-31-2) → methyl 4-[3'-(5'-bromo-1'H-benzimidazol-2'-yl)propyloxy]benzoate

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / triethylamine; DMAP / CH₂Cl₂ / 2 h / 0 °C

With dmap; triethylamine; In dichloromethane;

DOI:10.1071/CH03012

upstream raw materials:

4-butanolide

4-Bromo-benzene-1,2-diamine