2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile

Base Information

Chemical Name:2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile
CAS No.:145733-57-9
Molecular Formula:C₁₃H₉ClN₂
Molecular Weight:228.681
Hs Code.:
DSSTox Substance ID:DTXSID101259748

Synonyms:2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile;2-[5-(chloromethyl)pyridin-2-yl]benzonitrile;145733-57-9;SCHEMBL1372880;YTUQQODSCXAWRW-UHFFFAOYSA-N;DTXSID101259748;2-[5-(Chloromethyl)-2-pyridinyl]benzonitrile

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

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Chemical Property of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:228.0454260
Heavy Atom Count:16
Complexity:270

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C2=NC=C(C=C2)CCl

Technology Process of 2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile

There total 5 articles about 2-(5-(Chloromethyl)pyridin-2-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: 92.0%

: 145733-56-8
2-<5-(hydroxymethyl)pyridin-2-yl>benzonitrile

: 145733-57-9
2-<5-(chloromethyl)pyridin-2-yl>benzonitrile

Guidance literature:: With thionyl chloride; zinc(II) chloride; In 1,4-dioxane; for 18h; Ambient temperature;
DOI:10.1021/jm00030a013

Reference yield:

: 6311-35-9
6-bromonicotinic acid

: 145733-57-9
2-<5-(chloromethyl)pyridin-2-yl>benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 59 percent / BH₃ / tetrahydrofuran / 3 h / Ambient temperature

2: 97 percent / dimethylformamide / 1 h

3: 1.) n-BuLi, 2.) tri-n-butyltin chloride, 3.) CuI, bis(triphenylphosphine)palladium(II) chloride

4: 80 percent / n-Bu₄NF hydrate / tetrahydrofuran / 18 h / Ambient temperature

5: 92 percent / ZnCl₂, SOCl₂ / dioxane / 18 h / Ambient temperature

With copper(l) iodide; n-butyllithium; thionyl chloride; bis(triphenylphosphine)palladium(II)-chloride; borane; tributyltin chloride; tetrabutyl ammonium fluoride; zinc(II) chloride; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1021/jm00030a013

Reference yield:

: 122306-01-8
2-bromo-5-(hydroxymethyl)pyridine

: 145733-57-9
2-<5-(chloromethyl)pyridin-2-yl>benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / dimethylformamide / 1 h

2: 1.) n-BuLi, 2.) tri-n-butyltin chloride, 3.) CuI, bis(triphenylphosphine)palladium(II) chloride

3: 80 percent / n-Bu₄NF hydrate / tetrahydrofuran / 18 h / Ambient temperature

4: 92 percent / ZnCl₂, SOCl₂ / dioxane / 18 h / Ambient temperature

With copper(l) iodide; n-butyllithium; thionyl chloride; bis(triphenylphosphine)palladium(II)-chloride; tributyltin chloride; tetrabutyl ammonium fluoride; zinc(II) chloride; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1021/jm00030a013