2-PIPERAZINONICOTINONITRILE

Base Information

• Chemical Name: 2-PIPERAZINONICOTINONITRILE
• CAS No.: 84951-44-0
• Molecular Formula: C10H12N4
• Molecular Weight: 188.232
• Hs Code.: 2933599590
• European Community (EC) Number: 671-461-9
• DSSTox Substance ID: DTXSID201005241
• Wikidata: Q27454531
• ChEMBL ID: CHEMBL48137
• Mol file: 84951-44-0.mol

Synonyms:1-(3-Cyanopyridin-2-yl)piperazine;2-(1-Piperazinyl)nicotinonitrile;2-Piperazinopyridine-3-carbonitrile;3-Cyano-2-piperazinylpyridine;Nicotinonitrile,2-(1-piperazinyl)- (6CI);1-(3-Cyano-2-pyridyl)piperazine;2-(Piperazin-1-yl)nicotinonitrile;3-Pyridinecarbonitrile, 2-(1-piperazinyl)-;

Chemical Property of 2-PIPERAZINONICOTINONITRILE

Chemical Property:

• Vapor Pressure: 3.17E-06mmHg at 25°C
• Melting Point: 102-104ºC
• Refractive Index: 1.605
• Boiling Point: 388 °C at 760 mmHg
• PKA: 8.34±0.10(Predicted)
• Flash Point: 188.4 °C
• PSA: 51.95000
• Density: 1.22 g/cm³
• LogP: 0.75668
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.106196400
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

2-(Piperazin-1-yl)nicotinonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=CC=N2)C#N

Technology Process of 2-PIPERAZINONICOTINONITRILE

There total 2 articles about 2-PIPERAZINONICOTINONITRILE 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: 96.1%

piperazine (110-85-0) + 2-chloro-3-pyridinecarbonitrile (6602-54-6) → 2-(piperazin-1-yl)nicotinonitrile (84951-44-0)

Guidance literature:

In ethanol; 1.) ice bath, 2.) room temperature;

DOI:10.1248/cpb.39.2288

Reference yield: 38.0%

→ 2-(piperazin-1-yl)nicotinonitrile (84951-44-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 20h;

Reference yield: 100.0%

4-phenoxyphenylacetic acid (6328-74-1) + 2-(piperazin-1-yl)nicotinonitrile (84951-44-0) → 2.(4-(2-(4-phenoxyphenyl)acetyl)piperazin-1-yl)nicotinonitrile (1058161-14-0)

Guidance literature:

4-phenoxyphenylacetic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

2-(piperazin-1-yl)nicotinonitrile; In N,N-dimethyl-formamide; for 1.5h;

upstream raw materials:

piperazine

2-chloro-3-pyridinecarbonitrile

Downstream raw materials:

2-(piperazin-1-yl)nicotinaldehyde

4-(3-Cyano-2-pyridinyl)-N-[4-(isopropyl)phenyl]-1-piperazinecarboxamide

2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-N-(3-methylphenyl)acetamide

Refernces

• 1、 Bojarski, Andrzej J.,Dehaen, Wim,Janousek, Jiri,Juza, Radomir,Karasova, Jana Zdarova,Kobrlova, Tereza,Korabecny, Jan,Kubacka, Monika,Mezeiova, Eva,Mogilski, Szczepan,Musilek, Kamil,Pejchal, Jaroslav,Petrasek, Tomas,Prchal, Lukas,Randakova, Alena,Satala, Grzegorz,Soukup, Ondrej,Stark, Holger,Stefkova-Mazochova, Kristyna,Svozil, Daniel,Vlcek, Premysl,Vojtechova, Iveta. "Novel D2/5-HT receptor modulators related to cariprazine with potential implication to schizophrenia treatment". supporting information. . Retrieved 2022/02/17.
• 2、 Umar, Tarana,Shalini, Shruti,Raza, Md Kausar,Gusain, Siddharth,Kumar, Jitendra,Seth, Prerna,Tiwari, Manisha,Hoda, Nasimul. "A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease". . p. 2 - 19. Retrieved 2019/05/06.