1-(4-Pyridyl)piperazine

Base Information

• Chemical Name: 1-(4-Pyridyl)piperazine
• CAS No.: 1008-91-9
• Molecular Formula: C9H13N3
• Molecular Weight: 163.222
• Hs Code.: 29335990
• European Community (EC) Number: 213-764-7
• DSSTox Substance ID: DTXSID80143520
• Nikkaji Number: J217.122H
• Wikidata: Q72504746
• ChEMBL ID: CHEMBL339069
• Mol file: 1008-91-9.mol

Synonyms:1-(4-pyridyl)piperazine

Chemical Property of 1-(4-Pyridyl)piperazine

Chemical Property:

• Appearance/Colour: Gray power
• Melting Point: 137-141 °C
• Refractive Index: 1.576
• Boiling Point: 314.4 °C at 760 mmHg
• PKA: 10.73±0.10(Predicted)
• Flash Point: 143.9 °C
• PSA: 28.16000
• Density: 1.081 g/cm³
• LogP: 0.88500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: Soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.110947427
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Pyridyl)piperazine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-36-37/38/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=NC=C2
• Uses: 1-(4-Pyridyl)piperazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is also used to produce 1-pyridin-4-yl-4-(4-vinyl-benzyl)-piperazine with 1-(chloromethyl)-4-vinylbenzene by heating.

Technology Process of 1-(4-Pyridyl)piperazine

There total 15 articles about 1-(4-Pyridyl)piperazine 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: 99.0%

1-benzyl-4-(4'-pyridinyl)piperazine (63980-43-8) → 4-(piperazin-1-yl)pyridine (1008-91-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; under 1810.07 Torr;

DOI:10.1021/ol017198s

Reference yield: 78.0%

piperazine (110-85-0) + 4-Chloropyridine (626-61-9) → 4-(piperazin-1-yl)pyridine (1008-91-9)

Guidance literature:

In isopropyl alcohol; Reflux;

DOI:10.1021/acs.jmedchem.9b01492

Reference yield: 52.0%

piperazine (110-85-0) + 4-bromopyridin (1120-87-2) → 4-(piperazin-1-yl)pyridine (1008-91-9)

Guidance literature:

In various solvent(s); at 169 ℃; for 8h;

DOI:10.1248/cpb.49.1314

upstream raw materials:

piperazine

4-Chloropyridine

1-benzyl-4-(4'-pyridinyl)piperazine

4-bromopyridin

Downstream raw materials:

[6-oxo-6-(4-pyridin-4-yl-piperazin-1-yl)-hexyl]-carbamic acid tert-butyl ester

1-(4-nitro-phenyl)-4-pyridin-4-yl-piperazine

1-[N²-[4-amino-3,5-dibromo-N-(1-oxo-4-phenylbutyl)-D-phenylalanyl]-N⁶-(phenylmethoxycarbonyl)-L-lysyl]-4-(4-pyridinyl)piperazine

1-[N²-(1,1-dimethylethoxycarbonyl)-N⁶-(phenylmethoxycarbonyl)-L-lysyl]-4-(4-pyridinyl)piperazine

Refernces

• 1、 Mary, Y. Sheena,Panicker, C. Yohannan,Varghese, Hema Tresa,Van Alsenoy, Christian,Procházková, Markéta,?ev?ík, Richard,Pazdera, Pavel. "Acid-base properties, FT-IR, FT-Raman spectroscopy and computational study of 1-(pyrid-4-yl)piperazine". . p. 436 - 444. Retrieved 2014.
• 2、 Kore, Nitin,Pazdera, Pavel. "New stable Cu(I) catalyst supported on weakly acidic polyacrylate resin for green C-N coupling: Synthesis of N-(Pyridin-4-yl)benzene amines and N,N-Bis(pyridine-4-yl)benzene amines". . . Retrieved 2017/01/24.