Piperazin-1-yl(pyridin-3-yl)methanone

Base Information

• Chemical Name: Piperazin-1-yl(pyridin-3-yl)methanone
• CAS No.: 39640-08-9
• Molecular Formula: C10H13N3O
• Molecular Weight: 191.233
• Hs Code.: 2933990090
• European Community (EC) Number: 664-203-1
• DSSTox Substance ID: DTXSID30354361
• Nikkaji Number: J2.094.309B
• Wikidata: Q82132446
• Mol file: 39640-08-9.mol

Synonyms:39640-08-9;piperazin-1-yl(pyridin-3-yl)methanone;Piperazin-1-yl-pyridin-3-yl-methanone;1-piperazinyl(3-pyridinyl)methanone;1-(pyridine-3-carbonyl)piperazine;(Piperazin-1-yl)(pyridin-3-yl)methanone;1-[(pyridin-3-yl)carbonyl]piperazine dihydrochloride;Oprea1_268806;Oprea1_596862;SCHEMBL1088707;DTXSID30354361;piperazin-1-ylpyridin-3-ylmethanone;SMSF0013186;GS3490;MFCD01909590;STL183862;AKOS000125306;CB00801;1-(3-PYRIDINYLCARBONYL)PIPERAZINE;BB 0256934;FT-0650486;EN300-44866;F87888;A824667;J-523962;Z228586820;4-((4-Ethyl-2,6-difluorphenyl)-ethinyl)-4-propylbiphenyl

Chemical Property of Piperazin-1-yl(pyridin-3-yl)methanone

Chemical Property:

• Vapor Pressure: 1.42E-05mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 366.9 °C at 760 mmHg
• Flash Point: 175.7 °C
• PSA: 45.23000
• Density: 1.167 g/cm³
• LogP: 0.39370
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.105862047
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

1-(pyridine-3-carbonyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CN=CC=C2

Technology Process of Piperazin-1-yl(pyridin-3-yl)methanone

There total 8 articles about Piperazin-1-yl(pyridin-3-yl)methanone 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: 89.0%

piperazine (110-85-0) + nicotinic acid (59-67-6) → piperazin-1-yl-pyridin-3-yl-methanone (39640-08-9)

Guidance literature:

nicotinic acid; With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 5 ℃; for 0.25h;

piperazine; With pyridine; In dichloromethane; at 20 ℃; for 0.833333h;

DOI:10.1081/SCC-200026630

Reference yield: 85.0%

→ piperazin-1-yl-pyridin-3-yl-methanone (39640-08-9)

Guidance literature:

Reference yield:

→ 1-[2-(3,4-Dihydro-2H-1-benzopyran-4-yl)ethyl]-4-nicotinoylpiperazine dihydrochloride monohydrate + piperazin-1-yl-pyridin-3-yl-methanone (39640-08-9)

Guidance literature:

upstream raw materials:

piperazine

nicotinic acid

tert-butyl 4-((4-chlorophenyl)carbamoyl)piperazine-1-carboxylate

nicotinic acid succinimidyl ester

Refernces

• 1、 Long, Huan,Hu, Xiaolong,Wang, Baolin,Wang, Quan,Wang, Rong,Liu, Shumeng,Xiong, Fei,Jiang, Zhenzhou,Zhang, Xiao-Qi,Ye, Wen-Cai,Wang, Hao. "Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer". . p. 12089 - 12108. Retrieved 2021/09/06.
• 2、 Juki?, Marko,Frlan, Rok,Chan, Fiona,Kirby, Robert W.,Madge, David J.,Tytgat, Jan,Peigneur, Steve,Anderluh, Marko,Kikelj, Danijel. "Synthesis and biological evaluation of piperazine derivatives as novel isoform selective voltage-gated sodium (Nav) 1.3 channel modulators". . p. 2366 - 2380. Retrieved 2015/04/16.