2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile

Base Information

Chemical Name:2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile
CAS No.:594813-32-8
Molecular Formula:C10H7 N3 O
Molecular Weight:185.185
Hs Code.:
DSSTox Substance ID:DTXSID50591877
Wikidata:Q82485743
Mol file:594813-32-8.mol

Synonyms:594813-32-8;2-hydroxy-4-imidazol-1-yl-benzonitrile;2-HYDROXY-4-(1H-IMIDAZOL-1-YL)BENZONITRILE;Benzonitrile,2-hydroxy-4-(1H-imidazol-1-yl)-;2-Hydroxy-4-(imidazol-1-yl)benzonitrile;SCHEMBL3320465;DTXSID50591877;AKOS006289496;DB-293134

Suppliers and Price of 2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-HYDROXY-4-(1H-IMIDAZOL-1-YL)BENZONITRILE 95.00%
5MG
$ 498.22

Total 7 raw suppliers

Chemical Property of 2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile

Chemical Property:

Boiling Point:433.9±40.0 °C(Predicted)
PKA:6.68±0.10(Predicted)
PSA：61.84000
Density:1.26±0.1 g/cm3(Predicted)
LogP:1.44958
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:185.058911855
Heavy Atom Count:14
Complexity:247

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXY-4-(1H-IMIDAZOL-1-YL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1N2C=CN=C2)O)C#N

Technology Process of 2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile

There total 3 articles about 2-Hydroxy-4-(1H-imidazol-1-YL)benzonitrile 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:

: 73289-81-3
2-hydroxy-4-iodobenzonitrile

: 594813-32-8
2-hydroxy-4-(imidazol-1-yl)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 17 h / Heating / reflux

2: caesium carbonate / 1,10-Phenanthroline; dibenzylideneacetone; copper(II) bis(trifluoromethanesulfonate) / xylene / 19 h / 110 °C / Sonographic reaction

3: hydrogen / palladium 10% on activated carbon / ethanol; ethyl acetate / 16 h

With hydrogen; potassium carbonate; caesium carbonate; 1,10-Phenanthroline; dibenzylideneacetone; palladium 10% on activated carbon; copper(II) bis(trifluoromethanesulfonate); In ethanol; ethyl acetate; acetonitrile; xylene;

Reference yield:

: 594813-16-8
2-(benzyloxy)-4-iodobenzonitrile

: 594813-32-8
2-hydroxy-4-(imidazol-1-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / 1,10-Phenanthroline; dibenzylideneacetone; copper(II) bis(trifluoromethanesulfonate) / xylene / 19 h / 110 °C / Sonographic reaction

2: hydrogen / palladium 10% on activated carbon / ethanol; ethyl acetate / 16 h

With hydrogen; caesium carbonate; 1,10-Phenanthroline; dibenzylideneacetone; palladium 10% on activated carbon; copper(II) bis(trifluoromethanesulfonate); In ethanol; ethyl acetate; xylene;

Reference yield:

: 626-02-8
3-Iodophenol

: 594813-32-8
2-hydroxy-4-(imidazol-1-yl)benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: boron trichloride / dichloromethane; 1,2-dichloro-ethane / 72 h / 0 - 20 °C

1.2: 3 h / pH 11 / Heating / reflux

1.3: 0 °C / pH 1

2.1: potassium carbonate / acetonitrile / 17 h / Heating / reflux

3.1: caesium carbonate / 1,10-Phenanthroline; dibenzylideneacetone; copper(II) bis(trifluoromethanesulfonate) / xylene / 19 h / 110 °C / Sonographic reaction

4.1: hydrogen / palladium 10% on activated carbon / ethanol; ethyl acetate / 16 h

With hydrogen; boron trichloride; potassium carbonate; caesium carbonate; 1,10-Phenanthroline; dibenzylideneacetone; palladium 10% on activated carbon; copper(II) bis(trifluoromethanesulfonate); In ethanol; dichloromethane; ethyl acetate; 1,2-dichloro-ethane; acetonitrile; xylene;