3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile

Base Information

• Chemical Name: 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile
• CAS No.: 31255-57-9
• Molecular Formula: C14H11ClN2
• Molecular Weight: 242.708
• Hs Code.: 2933399090
• European Community (EC) Number: 608-594-9
• DSSTox Substance ID: DTXSID30399570
• Nikkaji Number: J2.862.573A
• Wikidata: Q72456919
• ChEMBL ID: CHEMBL1898966
• Mol file: 31255-57-9.mol

Synonyms:31255-57-9;3-[2-(3-chlorophenyl)ethyl]-2-pyridinecarbonitrile;2-Cyano-3-(3-chlorophenylethyl)pyridine;3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile;3-(3-Chlorophenethyl)picolinonitrile;3-[2-(3-Chlorophenyl)ethyl]-2-cyanopyridine;3-(2-(3-Chloro phenyl)ethyl)-2-pyridine carbonitrile;3-[2-(3-chlorophenyl)ethyl]-2-pyridine carbonitrile;3-(2-(3-Chlorophenyl)ethyl)-2-pyridine carbonitrile;3-[2-(3-Chlorophenyl)-Ethyl ]-Pyridine Carbonitrile;MLS001178558;2-Pyridinecarbonitrile, 3-[2-(3-chlorophenyl)ethyl]-;AMY016;SCHEMBL6176675;CHEMBL1898966;DTXSID30399570;JPCGKKFEDUHGDF-UHFFFAOYSA-N;HMS2778H11;MFCD02942420;AKOS005067481;2-cyano-3-(3-chlorophenethyl)pyridine;AC-15427;BS-42470;SMR000475905;CS-0359492;FT-0654615;D97234;3-[2-(3-chlorophenyl)ethyl]pyridine carbonitrile;AE-641/11949211;3-[2-(3chlorophenyl)ethyl]-2-pyridinecarbonitrile;J-018301;3-[2-(3-chlorophenyl) ethyl]-2-pyridinecarbonitrile;3-[2-(3-Chlorophenyl)ethyl]-2-pyridine-carbonitrile;3-[2-(3-CHLOROPHENYL)ETHYL]-2-PYRIDINE-CARBO-NITRILE

Chemical Property of 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile

Chemical Property:

• Appearance/Colour: Light brown solid
• Vapor Pressure: 7.65E-06mmHg at 25°C
• Melting Point: 71-72 °C
• Refractive Index: 1.605
• Boiling Point: 375.7 °C at 760 mmHg
• PKA: -0.15±0.10(Predicted)
• Flash Point: 181 °C
• PSA: 36.68000
• Density: 1.23 g/cm³
• LogP: 3.39188
• Storage Temp.: Refrigerator
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.0610761
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

98% ^*data from raw suppliers

2-Cyano-3-(3-chlorophenylethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCC2=C(N=CC=C2)C#N
• Uses: 2-Cyano-3-(3-chlorophenylethyl)pyridine (cas# 31255-57-9) is a compound useful in organic synthesis.

Technology Process of 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile

There total 10 articles about 3-[2-(3-Chlorophenyl)ethyl]-2-pyridinecarbonitrile 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: 96.0%

3-[2-(3-chlorophenyl)vinyl]-2-pyridinecarbonitrile → 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile (31255-57-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 24h; under 760.051 Torr; Reagent/catalyst; Solvent;

Reference yield: 74.0%

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide (107285-30-3) → 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile (31255-57-9)

Guidance literature:

With trichlorophosphate; In toluene; for 4h; Reflux;

DOI:10.1021/jm801291f

Reference yield: 73.5%

3-(3-chlorophenethyl)-pyridine N-oxide (31255-47-7) + sodium cyanide (143-33-9,25596-52-5) → 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile (31255-57-9)

Guidance literature:

3-(3-chlorophenethyl)-pyridine N-oxide; With N,N-Dimethylcarbamoyl chloride; In acetonitrile; at 35 - 40 ℃; for 1 - 3h;

sodium cyanide; In water; acetonitrile; at -5 - 0 ℃; for 3 - 4h;

With sodium hydroxide; In water; acetonitrile; for 2 - 3h;

upstream raw materials:

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide

2-cyano-3-methylpyridine

N-tert-butyl-3-methylpyridine-2-carboxamide

1-Chloro-3-chloromethyl-benzene

Downstream raw materials:

{3-[2-(3-Chloro-phenyl)-ethyl]-pyridin-2-yl}-(1-methyl-piperidin-4-yl)-methanone

8-chloro-5,6-dihydro-11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

1-(METHYL-4-PIPERIDINYL)[3-(2-(3-CHLORO-PHENYL)ETHYL)-2-PYRIDINYL]METHANONE HYDROCHLORIDE

N-tert-butyl-3-methylpyridine-2-carboxamide

Refernces

• 1、 -. "Preparation method of loratadine intermediate". Paragraph 0013; 0017; 0025; 0029; 0031. . Retrieved 2021/04/29.
• 2、 -. "Synthetic method for loratadine intermediate". . . Retrieved 2017/08/28.