1-(Pyridin-4-ylmethyl)piperazine

Base Information

• Chemical Name: 1-(Pyridin-4-ylmethyl)piperazine
• CAS No.: 62089-74-1
• Molecular Formula: C10H15N3
• Molecular Weight: 177.249
• Hs Code.: 2933990090
• European Community (EC) Number: 671-476-0
• DSSTox Substance ID: DTXSID20355605
• Wikidata: Q72504718
• Mol file: 62089-74-1.mol

Synonyms:1-(pyridin-4-ylmethyl)piperazine;62089-74-1;1-(4-pyridylmethyl)piperazine;(4-Pyridylmethyl)piperazine;1-[(4-Pyridyl)methyl]piperazine;MFCD01320892;1-(4-pyridinylmethyl)-piperazine;1-[(pyridin-4-yl)methyl]piperazine;Piperazine, 1-(4-pyridinylmethyl)-;1-Pyridin-4-ylmethyl-piperazine;1-(4-pyridinylmethyl)piperazine;1-(4-PYRIDYLMETHYL)-PIPERAZINE;1-[(4-pyridylmethyl)]piperazine;Piperazine,1-(4-pyridinylmethyl)-;Oprea1_553077;Oprea1_832933;SCHEMBL209327;4-(4-pyridylmethyl)piperazine;(pyridin-4-ylmethyl)piperazine;DTXSID20355605;XZYLSJPLCLKCMR-UHFFFAOYSA-N;HMS1679O17;AMY20034;1-[(4-pyridyl)-methyl]-piperazine;1-(pyridin-4-yl-methyl)-piperazine;AR3902;STK298764;AKOS000264156;AC-2719;CS-W002772;LF-0542;BP-10204;SY002654;1-(4-pyridylmethyl)piperazine, AldrichCPR;FT-0678436;EN300-12037;A833578;A868559;Z85920464

Chemical Property of 1-(Pyridin-4-ylmethyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00114mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 300.1 °C at 760 mmHg
• PKA: 9.01±0.10(Predicted)
• Flash Point: 135.3 °C
• PSA: 28.16000
• Density: 1.073 g/cm³
• LogP: 0.75350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

1-[(4-Pyridyl)methyl]piperazine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC=NC=C2

Technology Process of 1-(Pyridin-4-ylmethyl)piperazine

There total 7 articles about 1-(Pyridin-4-ylmethyl)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: 71.0%

→ 1-(pyridin-4-ylmethyl)piperazine (62089-74-1)

Guidance literature:

Reference yield:

tert-butyl 4-(pyridin-4-ylmethyl)piperazine-1-carboxylate (150812-38-7) → 1-(pyridin-4-ylmethyl)piperazine (62089-74-1)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; dichloromethane; at 20 ℃; for 5h;

DOI:10.1016/j.bmcl.2011.02.033

Reference yield:

4-ethoxycarbonylpiperazine (120-43-4) + 4-(4-pyridylmethyl)-1-piperazinecarboxylic acid, ethyl ester (143210-48-4) + isopropyl alcohol (67-63-0,8013-70-5) → 1-(4-pyridylmethyl)piperazine trihydrobromide + 1-(pyridin-4-ylmethyl)piperazine (62089-74-1)

Guidance literature:

With sodium hydroxide; mercury; In hydrogen bromide;

upstream raw materials:

C₁₂H₁₇N₃O

4-(Chloromethyl)pyridine

4-ethoxycarbonylpiperazine

4-(4-pyridylmethyl)-1-piperazinecarboxylic acid, ethyl ester

Downstream raw materials:

{3-[2-(2,4-dichloro-phenyl)-ethoxy]-4-ethoxy-phenyl}-(4-pyridin-4-ylmethyl-piperazin-1-yl)-methanone

(E)-3-(2-nitrophenyl)-1-(4-pyridin-4-ylmethylpiperazin-1-yl)propenone

N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-7H-purin-6-amine

C₄₉H₅₈N₈O₉S₃

Refernces

• 1、 -. "SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1". Page/Page column 747. . Retrieved 2018/01/20.
• 2、 Hoveyda, Hamid R.,Roy, Marie-Odile,Blanc, Sebastien,No?l, Sophie,Salvino, Joseph M.,Ator, Mark A.,Fraser, Graeme. "Discovery of 3-aryl-5-acylpiperazinyl-pyrazoles as antagonists to the NK3 receptor". . p. 1991 - 1996. Retrieved 2011/04/24.