6340-03-0

Basic information

• Product Name: 1H-Benzimidazole-1-ethanol(9CI)
• Synonyms: 1H-Benzimidazole-1-ethanol(9CI);2-(1H-benzimidazol-1-yl)ethanol hydrochloride;1H-benzimidazole-1-ethanol;1-Benzimidazoleethanol;A 13317;Dimezole-8;Nsc20761;2-(1H-benzimidazol-1-yl)ethanol(SALTDATA: FREE)
• CAS NO: 6340-03-0
• Molecular Formula: C₉H₁₀N₂O
• Molecular Weight: 162.19
• Product Categories: BENZIMIDAZOLE
• Mol File: 6340-03-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 345.6°C at 760 mmHg
• Flash Point: 162.8°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 2.31E-05mmHg at 25°C
• Refractive Index: 1.62
• CAS DataBase Reference: 1H-Benzimidazole-1-ethanol(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazole-1-ethanol(9CI)(6340-03-0)
• EPA Substance Registry System: 1H-Benzimidazole-1-ethanol(9CI)(6340-03-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 6340-03-0(Hazardous Substances Data)

Usage

General Description

1H-Benzimidazole-1-ethanol (9CI) is a chemical compound with the molecular formula C9H9N2O. It is a derivative of benzimidazole and contains a benzene ring fused to an imidazole ring with an ethanol group attached. 1H-Benzimidazole-1-ethanol(9CI) has potential biological and pharmacological activities and can be used in the synthesis of various pharmaceutical compounds. It may have applications in the development of antiviral, antifungal, and anticancer agents, among other potential therapeutic uses. Its activity and properties make it a valuable compound for further research and development in the field of medicinal chemistry and drug discovery.

InChI:InChI=1/C9H10N2O/c12-6-5-11-7-10-8-3-1-2-4-9(8)11/h1-4,7,12H,5-6H2

Upstream product

• 51-17-2 benzoimidazole 
• 107-07-3 2-chloro-ethanol 
• 40332-16-9 2-(1H-benzo[d]imidazol-1-yl)acetic acid 
• 96-49-1 [1,3]-dioxolan-2-one 
• 95-54-5 1,2-diamino-benzene 
• 624-76-0 Iodoethanol 
• 540-51-2 2-bromoethanol 
• 118482-18-1 1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-1H-benzimidazole 
• 64-18-6 formic acid 
• 4926-58-3 2-((2-hydroxyethyl)amino)aniline 
• 75-21-8 oxirane 

Downstream Products

• 22492-19-9 1-(2-chloroethyl)-1H-benzo[d]imidazole 
• 39936-67-9 1,3-bis(2-hydroxyethyl)-1H-benzo[d]imidazol-2(3H)-one 
• 1562526-63-9 2-(2-(1H-benzo[d]imidazol-1-yl)ethyl)-6-(benzyloxy)-4-(benzyloxymethyl)-1,2,4-triazine-3,5(2H,4H)-dione 
• 1562526-60-6 2-(2-(1H-benzo[d]imidazol-1-yl)ethyl)-4-(benzyloxymethyl)-6-bromo-1,2,4-triazine-3,5(2H,4H)-dione 
• 1013022-33-7 1-(2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethyl)-1H-benzo[d]imidazole 

Relevant articles and documents

Synthesis, crystal structures, spectral investigations, conformational analysis and DFT studies of N- heterocyclic carbene precursors

Three new 2-hydroxyethyl substituted N-heterocyclic carbene (NHC) precursors were synthesized in this study. These NHC precursors were prepared from 1-(alkyl/aryl)benzimidazole and alkyl halides. Their structural characterizations were performed by elemental analysis, 1H NMR, 13C NMR, FT–IR and UV–Vis spectroscopy and single-crystal X-ray diffraction. The spectral features were also characterized by Density Functional Theory (DFT) at B3LYP/Lanl2dz//6-31G++(d,p) basis set. Two most stable conformers belonging to the compounds were found by potential energy surface (PES) scan, and the theoretical ground-state geometries were investigated. Among these conformers, the geometry of the conformer-I for all compounds matches almost well with the experimental results. 1H and 13C NMR chemical shifts were calculated with GIAO approach and compared to the observed ones. Detailed vibrational assignments of the wavenumbers of the conformers were carried out based on the potential energy distribution (PED). Natural bond orbital (NBO) analysis was used to analyze the stability of the molecules arising from hyperconjugative interactions and charge delocalization. The HOMO–LUMO energy gap of the stable conformers was calculated for comparing their chemical reactivity behavior. Molecular electrostatic potential (MEP) diagrams were used to get information about ?the size, shape, charge density distribution and site of chemical reactivity of each stable conformer. The 3D Hirshfeld surfaces and the associated 2D fingerprint plots were also carried out to obtain an insight into the behavior of the interactions in the compounds.

Synthesis of N-heterocyclic nitrenium (NHN) ions and related donor systems: Coordination with d10-metal ions

The synthesis of three new NNN- and CNC type N-heterocyclic nitrenium (NHN) ion based pincer ligands is reported from 1,3-di-(2′-bromoethyl)-triazolium bromide (5). The reaction of 5 with ammonium hexafluorophosphate followed by two equivalent of pyrrolid

A2 ADENOSINE RECEPTOR AGONISTS

Disclosed are AZB adenosine receptor (AR) agonists of formula (I), in which R1, R2, R3, R4, Z, and n are defined herein. The invention also provides compositions comprising at least one compound of formula I and methods of use thereof, for example, in the treatment of septic shock, cystic fibrosis, restenosis, erectile dysfunction, inflammation, myocardial ischemia, and reperfusion injury.