1-(6-Methoxypyridin-3-YL)piperazine

Base Information

• Chemical Name: 1-(6-Methoxypyridin-3-YL)piperazine
• CAS No.: 158399-76-9
• Molecular Formula: C₁₀H₁₅N₃O
• Molecular Weight: 193.249
• DSSTox Substance ID: DTXSID40597565
• Wikidata: Q82493162
• Mol file: 158399-76-9.mol

Synonyms:1-(6-METHOXYPYRIDIN-3-YL)PIPERAZINE;158399-76-9;1-(6-METHOXY-3-PYRIDINYL)PIPERAZINE;Piperazine, 1-(6-methoxy-3-pyridinyl)-;SCHEMBL2617751;DTXSID40597565;LWSOFYASWRIOJM-UHFFFAOYSA-N;GS0830;MFCD08234698;AKOS006284994;MB05647;DA-09797;CS-0303008;EN300-1997948

Chemical Property of 1-(6-Methoxypyridin-3-YL)piperazine

Chemical Property:

• Boiling Point: 351.3±37.0 °C(Predicted)
• PKA: 8.61±0.10(Predicted)
• PSA: 37.39000
• Density: 1.104±0.06 g/cm3(Predicted)
• LogP: 0.89360
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.121512110
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

1-(6-Methoxypyridin-3-yl)piperazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=C(C=C1)N2CCNCC2

Technology Process of 1-(6-Methoxypyridin-3-YL)piperazine

There total 2 articles about 1-(6-Methoxypyridin-3-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:

2-methoxypyridine (1628-89-3) + Selectfluor (140681-55-6) → 1-(6-methoxy-3-pyridinyl)piperazine (158399-76-9) + C10H15N3O

Guidance literature:

2-methoxypyridine; Selectfluor; With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; C₂₀H₂₈N₄O₂Pd⁽²⁺⁾*2BF₄^(1-); In acetonitrile; at 23 ℃; for 24h;

With water; sodium thiosulfate; In acetonitrile; at 100 ℃; for 2h; Overall yield = 51 %; regioselective reaction; Sealed tube;

DOI:10.1038/nchem.2529

Reference yield:

6-methoxy-pyridin-3-ylamine (6628-77-9) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 1-(6-methoxy-3-pyridinyl)piperazine (158399-76-9)

Guidance literature:

With potassium carbonate; In iso-butanol;

upstream raw materials:

6-methoxy-pyridin-3-ylamine

bis-(2-chloroethyl)amine hydrochloride

2-methoxypyridine

Selectfluor