1-(3-Methylpyridin-4-yl)piperazine

Base Information

• Chemical Name: 1-(3-Methylpyridin-4-yl)piperazine
• CAS No.: 112940-51-9
• Molecular Formula: C₁₀H₁₅N₃
• Molecular Weight: 177.249
• Hs Code.: 2933990090
• European Community (EC) Number: 801-711-6
• DSSTox Substance ID: DTXSID70444972
• Wikidata: Q82263264
• Mol file: 112940-51-9.mol

Synonyms:1-(3-methylpyridin-4-yl)piperazine;112940-51-9;Piperazine, 1-(3-methyl-4-pyridinyl)- (9CI);SCHEMBL1631742;DTXSID70444972;QIELQJJSSZTEJW-UHFFFAOYSA-N;1-(3-Methyl-4-pyridinyl)piperazine;GS0854;MFCD08059934;AKOS013153810;1-(3-methyl(pyridin-4-yl))piperazine;AS-47853;CS-0308239;FT-0755849;EN300-112120;F16368;1-(3-methylpyridin-4-yl)piperazine, AldrichCPR;Z1198175670

Chemical Property of 1-(3-Methylpyridin-4-yl)piperazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 328.646°C at 760 mmHg
• PKA: 11.09±0.20(Predicted)
• Flash Point: 152.56°C
• PSA: 28.16000
• Density: 1.06g/cm³
• LogP: 1.19340
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Methylpyridin-4-yl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1)N2CCNCC2

Technology Process of 1-(3-Methylpyridin-4-yl)piperazine

There total 3 articles about 1-(3-Methylpyridin-4-yl)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:

piperazine (110-85-0) + 4-chloro-3-methylpyridine hydrochloride (19524-08-4) → 1-(3-methylpyridin-4-yl)piperazine (112940-51-9)

Guidance literature:

With sodium hydrogencarbonate; In butan-1-ol;

Reference yield:

4-(3-Methyl-pyridin-4-yl)-piperazine-1-carbaldehyde → 1-(3-methylpyridin-4-yl)piperazine (112940-51-9)

Guidance literature:

With sodium hydroxide; In methanol; for 5.5h; Heating;

DOI:10.1021/jm970166j

Reference yield:

4-chloro-3-methylpyridine (1681-36-3) → 1-(3-methylpyridin-4-yl)piperazine (112940-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 46 percent / various solvent(s) / 16 h / 90 °C

2: aq. NaOH / methanol / 5.5 h / Heating

With sodium hydroxide; In methanol;

DOI:10.1021/jm970166j

upstream raw materials:

4-chloro-3-methylpyridine

piperazine

4-chloro-3-methylpyridine hydrochloride

Refernces

• 1、 -. "Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents". . . Retrieved 2008/06/13.