3-Piperazin-1-yl-pyridazine

Base Information

• Chemical Name: 3-Piperazin-1-yl-pyridazine
• CAS No.: 51047-56-4
• Molecular Formula: C8H12 N4
• Molecular Weight: 164.21
• Hs Code.: 2933990090
• European Community (EC) Number: 836-865-3
• DSSTox Substance ID: DTXSID40453950
• Nikkaji Number: J1.678.217C
• Wikidata: Q72503749
• ChEMBL ID: CHEMBL1180528
• Mol file: 51047-56-4.mol

Synonyms:3-Piperazin-1-yl-pyridazine;51047-56-4;3-(piperazin-1-yl)pyridazine;1-(6-Pyridazinyl)piperazine;3-piperazin-1-ylpyridazine;Pyridazine, 3-(1-piperazinyl)-;pyridazinylpiperazine;3-piperazin-1-yl pyridazin;1-(3-pyridazinyl)piperazine;3-(1-Piperazinyl)pyridazine;SCHEMBL303641;CHEMBL1180528;DTXSID40453950;MIPXOMNITKFHDA-UHFFFAOYSA-N;AMY13958;MFCD01563781;AKOS005208274;CS-W006208;FS-2724;1-(6-Pyridazinyl)piperazine, AldrichCPR;AC-22857;FT-0687561;EN300-62723;A24750;J-513070;F1967-0476;Z982121928

Chemical Property of 3-Piperazin-1-yl-pyridazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 381.075oC at 760 mmHg
• PKA: 8.60±0.10(Predicted)
• Flash Point: 184.268oC
• PSA: 41.05000
• Density: 1.139g/cm3
• LogP: 0.28000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 164.106196400
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

3-Piperazin-1-yl-pyridazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NN=CC=C2

Technology Process of 3-Piperazin-1-yl-pyridazine

There total 4 articles about 3-Piperazin-1-yl-pyridazine 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: 20.0%

1-(6'-chloro-2'-pyridazinyl)-4-benzylpiperazine (362661-27-6) → 1-(3'-pyridazinyl)piperazine (51047-56-4)

Guidance literature:

With ammonium formate; 10percent Pd/C; In methanol; for 12h; Heating;

DOI:10.1021/jm010901y

Reference yield:

tert-butyl 4-(pyridazin-3-yl)piperazine-1-carboxylate (492431-12-6) → 1-(3'-pyridazinyl)piperazine (51047-56-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h;

Reference yield:

3-chloro-6-piperazin-1-yl-pyridazine (56392-83-7) → 1-(3'-pyridazinyl)piperazine (51047-56-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2004.09.010

upstream raw materials:

1-(6'-chloro-2'-pyridazinyl)-4-benzylpiperazine

3-chloro-6-piperazin-1-yl-pyridazine

tert-butyl 4-(pyridazin-3-yl)piperazine-1-carboxylate