1-(1,4-Dioxan-2-ylmethyl)piperazine

Base Information

• Chemical Name: 1-(1,4-Dioxan-2-ylmethyl)piperazine
• CAS No.: 329217-47-2
• Molecular Formula: C₉H₁₈N₂O₂
• Molecular Weight: 186.254
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30441366
• Mol file: 329217-47-2.mol

Synonyms:1-(1,4-dioxan-2-ylmethyl)piperazine;329217-47-2;PIPERAZINE, 1-(1,4-DIOXAN-2-YLMETHYL)- (9CI);DTXSID30441366;AKOS010253123;1-[(1,4-dioxan-2-yl)methyl]piperazine;EN300-76361;Z732183796

Chemical Property of 1-(1,4-Dioxan-2-ylmethyl)piperazine

Chemical Property:

• PSA: 33.73000
• LogP: -0.42630
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99%min ^*data from raw suppliers

1-(1,4-dioxan-2-ylmethyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2COCCO2

Technology Process of 1-(1,4-Dioxan-2-ylmethyl)piperazine

There total 2 articles about 1-(1,4-Dioxan-2-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:

1-phenylmethyl-4(dioxan-2-ylmethyl)piperazine (329217-45-0) → 2-piperazinylmethyl-1,4-dioxane (329217-47-2)

Guidance literature:

With hydrogen; 10percent Pd/C; In ethanol; at 50 ℃; for 20h; under 2585.81 Torr;

DOI:10.1021/jm000242+

Reference yield:

2-(iodomethyl)-1,4-dioxane (64179-17-5) → 2-piperazinylmethyl-1,4-dioxane (329217-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / K₂CO₃ / toluene / Heating

2: 6.59 g / H₂ / 10percent Pd/C / ethanol / 20 h / 50 °C / 2585.81 Torr

With hydrogen; potassium carbonate; 10percent Pd/C; In ethanol; toluene;

DOI:10.1021/jm000242+

upstream raw materials:

1-phenylmethyl-4(dioxan-2-ylmethyl)piperazine

2-(iodomethyl)-1,4-dioxane

Refernces