2-(4-Methylpiperazin-1-yl)acetaldehyde

Base Information

• Chemical Name: 2-(4-Methylpiperazin-1-yl)acetaldehyde
• CAS No.: 887588-94-5
• Molecular Formula: C₇H₁₄N₂O
• Molecular Weight: 142.201
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00601798
• Nikkaji Number: J3.002.470B
• Wikidata: Q82498622
• Mol file: 887588-94-5.mol

Synonyms:887588-94-5;2-(4-Methylpiperazin-1-yl)acetaldehyde;(4-METHYL-PIPERAZIN-1-YL)-ACETALDEHYDE;(4-methylpiperazin-1-yl)acetaldehyde;SCHEMBL1655253;DTXSID00601798;AKOS010078189;AT42066;SB12063;DB-100003;CS-0183712;EN300-1692794;J-501445;F8884-2071

Chemical Property of 2-(4-Methylpiperazin-1-yl)acetaldehyde

Chemical Property:

• PSA: 23.55000
• LogP: -0.69150
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 142.110613074
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

(4-Methyl-piperazin-1-yl)-acetaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC=O

Technology Process of 2-(4-Methylpiperazin-1-yl)acetaldehyde

There total 2 articles about 2-(4-Methylpiperazin-1-yl)acetaldehyde 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-(2,2-dimethoxyethyl)-4-methylpiperazine → 2-(4-methylpiperazin-1-yl)acetaldehyde (887588-94-5)

Guidance literature:

With hydrogenchloride; water; at 110 ℃; for 4h;

DOI:10.1016/j.ejmech.2018.05.006

Reference yield:

1-methyl-piperazine (109-01-3) → 2-(4-methylpiperazin-1-yl)acetaldehyde (887588-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 1,4-dioxane / 4 h / 100 °C

2: hydrogenchloride; water / 4 h / 110 °C

With hydrogenchloride; water; potassium carbonate; In 1,4-dioxane;

DOI:10.1016/j.ejmech.2018.05.006

upstream raw materials:

1-methyl-piperazine

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