2-Phenyl-2-(pyridin-2-yl)acetonitrile

Base Information

• Chemical Name: 2-Phenyl-2-(pyridin-2-yl)acetonitrile
• CAS No.: 5005-36-7
• Molecular Formula: C13H10N2
• Molecular Weight: 194.236
• Hs Code.: 2933399090
• European Community (EC) Number: 232-720-8,225-677-1
• NSC Number: 16276
• UNII: 75C8T53MRA
• DSSTox Substance ID: DTXSID50863480
• Nikkaji Number: J29.197H
• NCI Thesaurus Code: C1803
• Mol file: 5005-36-7.mol

Synonyms:5005-36-7;2-phenyl-2-(pyridin-2-yl)acetonitrile;phenyl(pyridin-2-yl)acetonitrile;alpha-Phenyl-2-pyridineacetonitrile;2-phenyl-2-pyridin-2-ylacetonitrile;Phenyl-2-pyridylacetonitrile;2-Pyridylphenylacetonitrile;2-phenyl-2-(2-pyridyl)acetonitrile;alpha-Phenyl-alpha-(2-Pyridyl)-acetonitrile;9010-10-0;Soy protein isolate;1-(2-Pyridine)Benzylcyamide;alpha-Phenyl-alpha-(2-pyridyl)acetonitrile;2-Pyridineacetonitrile, .alpha.-phenyl-;75C8T53MRA;alpha-Phenylpyridine-2-acetonitrile;EINECS 225-677-1;NSC-16276;(RS)-Phenyl(pyridin-2-yl)acetonitrile;(RS)-Phenyl(pyridin-2-yl)acetonitrile (Pyronitrile);Proteins, soybean;NSC16276;NSC 16276;PYRONITRILE;2-pyridylbenzyl cyanide;Cambridge id 5479533;phenyl 2-pyridylacetonitrile;UNII-75C8T53MRA;phenyl-2-pyridyl acetonitrile;MLS006011468;2-(alpha-Cyanobenzyl)pyridine;SCHEMBL637183;DTXSID50863480;alpha-pyrid-2-ylphenylacetonitrile;Phenyl(pyridine-2-yl)acetonitrile;2-Pyridineacetonitrile, a-phenyl-;HMS1583M07;alpha-pyrid-2-yl-phenylacetonitrile;BCP08541;2-pyridine acetonitrile alpha phenyl;2-(2-pyridyl)-2-phenylacetonitrile;MFCD00023497;STK736382;2-Phenyl-2-(pyrid-2-yl)acetonitrile;AKOS003388789;alpha-(2-pyridinyl)benzeneacetonitrile;(RS)-phenyl-pyridin-2-yl-acetonitrile;CS-W010650;SB52656;2-PHENYL(2-PYRIDYL)ACETONITRILE;AC-10382;alphaPhenyl-alpha-(2-pyridyl)acetonitrile;CS-13027;SMR002529998;.ALPHA.-PHENYL-2-PYRIDINEACETONITRILE;A7439;FT-0635509;FT-0695898;P2094;alpha -Phenyl- alpha -(2-pyridyl)acetonitrile;(2-Phenyl-1,2-dihydro-2-pyridinyl)acetonitrile;SR-01000945011;SR-01000945011-1;W-105992;DISOPYRAMIDE PHOSPHATE IMPURITY D [EP IMPURITY];.ALPHA.-PHENYL-.ALPHA.-(2-PYRIDYL)ACETONITRILE

Chemical Property of 2-Phenyl-2-(pyridin-2-yl)acetonitrile

Chemical Property:

• Appearance/Colour: Off-White Crystalline Solid
• Vapor Pressure: 0.000283mmHg at 25°C
• Melting Point: 83-85 °C
• Refractive Index: 1.589
• Boiling Point: 322.3 °C at 760 mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 115.2 °C
• PSA: 36.68000
• Density: 1.124 g/cm³
• LogP: 2.73708
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.084398327
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

α-Phenyl-α-(2-pyridyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Biological Agents -> Plant-Derived Allergens
• Canonical SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2
• Recent ClinicalTrials: The Effects of Milk Protein Versus Soy Protein on Essential Omega-3 Fatty Acid Metabolism
• Uses: The major metabolite of Antigastrin, a-Phenyl-a-(2-pyridyl)thioacetamide (SC 15396) and other thioamides The major metabolite of Antigastrin, α-Phenyl-α-(2-pyridyl)thioacetamide (SC 15396) and other thioamides.

Technology Process of 2-Phenyl-2-(pyridin-2-yl)acetonitrile

There total 12 articles about 2-Phenyl-2-(pyridin-2-yl)acetonitrile 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: 97.0%

pyridine-2-acetonitrile (2739-97-1) + bromobenzene (108-86-1,52753-63-6) → phenyl-pyridin-2-yl-acetonitrile (5005-36-7)

Guidance literature:

With potassium tert-butylate; palladium diacetate; nixantphos; In 1,4-dioxane; at 60 ℃; for 10h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2020.152534

Reference yield: 90.0%

2-chloropyridine (109-09-1) + phenylacetonitrile (140-29-4) → phenyl-pyridin-2-yl-acetonitrile (5005-36-7)

Guidance literature:

With sodium amide; In toluene; at 0 - 30 ℃; for 17h;

Reference yield: 90.0%

2-chloropyridine (109-09-1) + phenylacetonitrile (140-29-4) + sodium amide → phenyl-pyridin-2-yl-acetonitrile (5005-36-7)

Guidance literature:

In ethyl acetate; toluene;

upstream raw materials:

2-chloropyridine

phenylacetonitrile

2-bromo-pyridine

2-methoxypyridine

Downstream raw materials:

phenyl-di-[2]pyridyl-acetonitrile

2-phenyl-2-pyridin-2-yl-butyronitrile

4-cyano-4-phenyl-4-[2]pyridyl-butyric acid ethyl ester

4-(N,N-dimethylamino)-2-phenyl-2-(2-pyridyl)butanenitrile

Refernces

• 1、 ?tengl, Milan,Chodkowski, Andrzej,Dawidowski, Maciej,El Harchi, Aziza,Hancox, Jules C.,Jarkovska, Dagmar,Konopelski, Piotr,Król, Marek,Mistrova, Eliska,Podsadni, Piotr,Popowicz, Grzegorz M.,Sviglerova, Jitka,Szuberski, Piotr,Szulczyk, Bart?omiej,Tur?o, Jadwiga,Ufnal, Marcin,Wróbel, Martyna Zofia,Zhang, Yihong. "Structure-activity relationship and cardiac safety of 2-aryl-2-(pyridin-2-yl)acetamides as a new class of broad-spectrum anticonvulsants derived from Disopyramide". . . Retrieved 2020/03/17.
• 2、 ?lifirski, Grzegorz,Król, Marek,Kleps, Jerzy,Ulenberg, Szymon,Belka, Mariusz,B?czek, Tomasz,Siwek, Agata,Stachowicz, Katarzyna,Szewczyk, Bernadeta,Nowak, Gabriel,Bojarski, Andrzej,Kozio?, Anna E.,Tur?o, Jadwiga,Herold, Franciszek. "Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT1A receptor ligands". . p. 144 - 158. Retrieved 2019/01/30.