3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol

Base Information

• Chemical Name: 3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol
• CAS No.: 116040-91-6
• Molecular Formula: C11H14 N2 O
• Molecular Weight: 190.245
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10404550
• Wikidata: Q82208814
• Mol file: 116040-91-6.mol

Synonyms:116040-91-6;3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol;3-(1-methylbenzimidazol-2-yl)propan-1-ol;1H-Benzimidazole-2-propanol,1-methyl-(9CI);3-(1-methyl-1H-benzimidazol-2-yl)-1-propanol;3-(1-methyl-1H-benzimidazol-2-yl)propan-1-ol;3-(1-methyl-1H-1,3-benzodiazol-2-yl)propan-1-ol;ChemDiv3_011386;3-(1-Methyl-1H-benzo[d]imidazol-2-yl)propan-1-ol;SCHEMBL4485011;DTXSID10404550;DFIWBBQMDHDFAS-UHFFFAOYSA-N;HMS1505F12;MFCD01050196;AKOS000271743;CCG-142687;IDI1_028944;BS-37005;CS-0159232;FT-0750190;EN300-38869;BRD-K24013727-001-01-0;Z57114967

Chemical Property of 3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol

Chemical Property:

• Vapor Pressure: 6.26E-07mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 394.5°C at 760 mmHg
• Flash Point: 192.4°C
• PSA: 38.05000
• Density: 1.15g/cm³
• LogP: 1.49820
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1CCCO

Technology Process of 3-(1-Methyl-1H-benzoimidazol-2-yl)-propan-1-ol

There total 2 articles about 3-(1-Methyl-1H-benzoimidazol-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: 71.0%

N-methylbenzene-1,2-diamine dihydrochloride (25148-68-9) → 3-(1-methyl-1H-benzimidazol-2-yl)propan-1-ol (116040-91-6)

Guidance literature:

In hydrogenchloride;

Reference yield:

2-(3-hydroxypropyl)benzimidazole (2403-66-9) + methyl iodide (74-88-4) → 3-(1-methyl-1H-benzimidazol-2-yl)propan-1-ol (116040-91-6)

Guidance literature:

2-(3-hydroxypropyl)benzimidazole; methyl iodide; With triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.66667h;

methyl iodide; With caesium carbonate; In dichloromethane; N,N-dimethyl-formamide;

Reference yield: 49.0%

3-(1-methyl-1H-benzimidazol-2-yl)propan-1-ol (116040-91-6) + 7-methoxy-4-(3-phenylpiperidin-1-yl)quinazolin-6-ol (1006889-83-3) → 7-methoxy-6-[3-(1-methyl-1H-benzimidazol-2-yl)propoxy]-4-(3-phenylpiperidin-1-yl)quinazoline

Guidance literature:

With di-tert-butyl-diazodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm2001508

upstream raw materials:

N-methylbenzene-1,2-diamine dihydrochloride

2-(3-hydroxypropyl)benzimidazole

methyl iodide

Downstream raw materials:

1-(cyclopropylmethyl)-5-[3-(1-methyl-1H-benzimidazol-2-yl)propoxy]-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

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