3-(2-Hydroxyethoxy)benzonitrile

Base Information

Chemical Name:3-(2-Hydroxyethoxy)benzonitrile
CAS No.:57928-93-5
Molecular Formula:C9H9NO2
Molecular Weight:163.176
Hs Code.:2926907090
DSSTox Substance ID:DTXSID30481146
Wikidata:Q82316391
Mol file:57928-93-5.mol

Synonyms:3-(2-hydroxyethoxy)benzonitrile;57928-93-5;3-(2-Hydroxy-ethoxy)benzonitrile;SCHEMBL688911;AMY4719;DTXSID30481146;GHPUMGIECCOLLL-UHFFFAOYSA-N;3-[(2-hydroxyethyl)oxy]benzonitrile;AKOS000197166

Suppliers and Price of 3-(2-Hydroxyethoxy)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
3-(2-HYDROXY-ETHOXY)BENZONITRILE 95.00%
5MG
$ 498.78

Total 3 raw suppliers

Chemical Property of 3-(2-Hydroxyethoxy)benzonitrile

Chemical Property:

Melting Point:52-53 °C
Boiling Point:315.4±22.0 °C(Predicted)
PKA:14.14±0.10(Predicted)
PSA：53.25000
Density:1.19±0.1 g/cm3(Predicted)
LogP:0.92938
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:163.063328530
Heavy Atom Count:12
Complexity:173

Purity/Quality:

99% ^*data from raw suppliers

3-(2-HYDROXY-ETHOXY)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)OCCO)C#N

Technology Process of 3-(2-Hydroxyethoxy)benzonitrile

There total 5 articles about 3-(2-Hydroxyethoxy)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: 92.0%

: 55197-25-6
ethyl [(3-cyanophenyl)oxy]acetate

: 57928-93-5
3-[(2-hydroxyethyl)oxy]benzonitrile

Guidance literature:: ethyl [(3-cyanophenyl)oxy]acetate; With sodium tetrahydroborate; In ethanol; at 50 ℃; for 15h;

With water; In ethyl acetate;

Reference yield: 73.0%

: 905576-50-3
2-(3-cyanophenoxy)ethyl acetate

: 57928-93-5
3-[(2-hydroxyethyl)oxy]benzonitrile

Guidance literature:: 2-(3-cyanophenoxy)ethyl acetate; With lithium hydroxide; water; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 0.75h;

With hydrogenchloride; In tetrahydrofuran; methanol; water; at 0 ℃;

Reference yield:

: 873-62-1
m-cyanophenol

: 57928-93-5
3-[(2-hydroxyethyl)oxy]benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran / 24 h / 50 °C

2: sodium tetrahydroborate / ethanol / 15 h / 50 °C

With sodium tetrahydroborate; potassium carbonate; In tetrahydrofuran; ethanol;
DOI:10.1021/acs.jmedchem.6b01007