(1-Isopropyl-1H-benzimidazol-2-yl)methanol

Base Information

• Chemical Name: (1-Isopropyl-1H-benzimidazol-2-yl)methanol
• CAS No.: 305347-19-7
• Molecular Formula: C11H14 N2 O
• Molecular Weight: 190.245
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60353842
• Wikidata: Q82131654
• ChEMBL ID: CHEMBL4570808
• Mol file: 305347-19-7.mol

Synonyms:(1-Isopropyl-1H-benzimidazol-2-yl)methanol;305347-19-7;(1-isopropyl-1H-benzo[d]imidazol-2-yl)methanol;(1-propan-2-ylbenzimidazol-2-yl)methanol;[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methanol;(1-Isopropyl-1H-benzoimidazol-2-yl)-methanol;SCHEMBL859880;F0414-0101;IFLab1_001572;CHEMBL4570808;DTXSID60353842;IJXQWUGHKOHMKR-UHFFFAOYSA-N;HMS1416H10;MFCD01942611;STL482041;AKOS000272103;CCG-115348;LS-05799;BB 0219483;FT-0684131;EN300-1265781;[1-(propan-2-yl)-1h-benzimidazol-2-yl]methanol;A876157;AF-399/15337235;Z57114942

Chemical Property of (1-Isopropyl-1H-benzimidazol-2-yl)methanol

Chemical Property:

• Vapor Pressure: 1.45E-05mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 352.2°C at 760 mmHg
• PKA: 13.74±0.10(Predicted)
• Flash Point: 166.8°C
• PSA: 38.05000
• Density: 1.16g/cm³
• LogP: 2.10950
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

1-(1-Methylethyl)-1H-benzimidazole-2-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C2=CC=CC=C2N=C1CO
• Uses: 1-(1-Methylethyl)-1H-benzimidazole-2-methanol is a reagent used in the synthesis of new benzimidazole-thiazolidinedione hybrids as cytotoxic potential and apoptosis against a selected human cancer cell lines of prostate, breast, lung, and normal epithelial cells.

Technology Process of (1-Isopropyl-1H-benzimidazol-2-yl)methanol

There total 3 articles about (1-Isopropyl-1H-benzimidazol-2-yl)methanol 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: 53.0%

2-(Hydroxymethyl)benzimidazole (4856-97-7) + isopropyl bromide (75-26-3) → (1-isopropyl-1H-benzo[d]imidazole-2-yl)methanol (305347-19-7)

Guidance literature:

2-(Hydroxymethyl)benzimidazole; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

isopropyl bromide; In N,N-dimethyl-formamide; at 0 - 40 ℃; for 49h;

DOI:10.1016/j.ejmech.2015.12.049

Reference yield:

1,2-diamino-benzene (95-54-5) → (1-isopropyl-1H-benzo[d]imidazole-2-yl)methanol (305347-19-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 6 h / 100 °C

2: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C

With hydrogenchloride; potassium carbonate; In water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.5b00470

Reference yield:

2-iodo-propane (75-30-9) + 2-(Hydroxymethyl)benzimidazole (4856-97-7) → (1-isopropyl-1H-benzo[d]imidazole-2-yl)methanol (305347-19-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2016.07.019

upstream raw materials:

1,2-diamino-benzene

2-(Hydroxymethyl)benzimidazole

isopropyl bromide

2-iodo-propane

Downstream raw materials:

1-isopropyl-1H-benzo[d]imidazole-2-carbaldehyde