Benzonitrile,3-(2-pyridinyl)-

Base Information

• Chemical Name: Benzonitrile,3-(2-pyridinyl)-
• CAS No.: 4350-51-0
• Molecular Formula: C12H8N2
• Molecular Weight: 180.209
• Mol file: 4350-51-0.mol

Synonyms:3-pyrid-2-ylbenzoic acid;3-pyridin-2-ylbenzonitrile;3-PYRIDIN-2-YL-BENZOIC ACID;

Chemical Property of Benzonitrile,3-(2-pyridinyl)-

Chemical Property:

• Boiling Point: 340.1±25.0 °C(Predicted)
• PKA: 3.78±0.12(Predicted)
• PSA: 36.68000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.62028

Purity/Quality:

95% ^*data from raw suppliers

3-(Pyridin-2-yl)benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile,3-(2-pyridinyl)-

There total 14 articles about Benzonitrile,3-(2-pyridinyl)- 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: 95.0%

2-iodopyridine (5029-67-4) + (3‐cyanophenyl)boronic acid (150255-96-2) → 3-(pyridine-2-yl)benzonitrile (4350-51-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In ethanol; water; benzene; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c6ra09385j

Reference yield: 94.0%

2-chloropyridine (109-09-1) + 3-cyanobromobenzene (6952-59-6) → 3-(pyridine-2-yl)benzonitrile (4350-51-0)

Guidance literature:

3-cyanobromobenzene; With (2-(anthracen-9-yl)-1H-inden-3-yl)dicyclohexylphosphine; potassium acetate; bis(pinacol)diborane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl acetamide; at 100 ℃; for 3h; Inert atmosphere; Schlenk technique;

2-chloropyridine; With potassium phosphate tribasic trihydrate; In N,N-dimethyl acetamide; at 100 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4ob02436b

Reference yield: 93.0%

3-cyanobromobenzene (6952-59-6) + pyridin-2-ylzinc(II) bromide → 3-(pyridine-2-yl)benzonitrile (4350-51-0)

Guidance literature:

3-cyanobromobenzene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 0.5h;

pyridin-2-ylzinc(II) bromide; In tetrahydrofuran; at 65 ℃; for 16h;

DOI:10.1016/j.tetlet.2009.11.036

upstream raw materials:

2-bromo-pyridine

3-cyanobromobenzene

3-iodobenzonitrile

pyridine-2-boronic acid N-phenyldiethanolamine ester

Downstream raw materials:

phenyl(3-(pyridin-2-yl)phenyl)methanone

diisopropyl (4-cyano-2-(pyridin-2-yl)phenyl)phosphonate

Refernces

• 1、 Constantin, Timothée,Juliá, Fabio,Leonori, Daniele,Regni, Alessio,Sheikh, Nadeem S.,Zanini, Margherita. "Aminoalkyl radicals as halogen-atom transfer agents for activation of alkyl and aryl halides". . p. 1021 - 1026. Retrieved 2020/03/10.
• 2、 -. "Preparation method of meta-position cyano-aromatic compound". Paragraph 0004; 0013; 0018. . Retrieved 2020/02/17.