3-Chloro-6-(piperazin-1-yl)pyridazine

Base Information

• Chemical Name: 3-Chloro-6-(piperazin-1-yl)pyridazine
• CAS No.: 56392-83-7
• Molecular Formula: C8H11 Cl N4
• Molecular Weight: 198.655
• Hs Code.: 2933990090
• European Community (EC) Number: 664-196-5
• DSSTox Substance ID: DTXSID40415391
• Nikkaji Number: J1.678.215G
• Wikidata: Q72458313
• ChEMBL ID: CHEMBL127023
• Mol file: 56392-83-7.mol

Synonyms:56392-83-7;3-chloro-6-(piperazin-1-yl)pyridazine;3-chloro-6-piperazin-1-ylpyridazine;3-Chloro-6-piperazinopyridazine;1-(6-Chloropyridazino-3-yl)piperazine;CHEMBL127023;MFCD05858981;1-(6-Chloro-pyridazino-3-yl)-piperazine;Pyridazine, 3-chloro-6-(1-piperazinyl)-;MLS000729271;SCHEMBL181761;DTXSID40415391;DXPPQFXYIZTQCV-UHFFFAOYSA-N;HMS2730M04;BDBM50473425;STK198613;1-(6-Chloro-3-pyridazinyl)piperazine;3-chloro-6-(1-piperazinyl)pyridazine;AKOS000154306;AC-26859;AS-10356;SMR000307549;SY008584;CS-0156742;FT-0754867;EN300-31495;A51164;A869959;Z57675083;F2158-0579

Chemical Property of 3-Chloro-6-(piperazin-1-yl)pyridazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 101-103 ºC
• Boiling Point: 430.8°Cat760mmHg
• Flash Point: 214.4°C
• PSA: 41.05000
• Density: 1.272
• LogP: 0.93340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.0672241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-6-(piperazin-1-yl)pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NN=C(C=C2)Cl

Technology Process of 3-Chloro-6-(piperazin-1-yl)pyridazine

There total 3 articles about 3-Chloro-6-(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: 82.0%

piperazine (110-85-0) + 3,6-dichlorpyridazine (141-30-0) → 3-chloro-6-piperazin-1-yl-pyridazine (56392-83-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; for 18h; Reflux;

Reference yield:

4-(6-chloro-pyridazin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester (492431-11-5) → 3-chloro-6-piperazin-1-yl-pyridazine (56392-83-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.75h;

Reference yield:

→ 3-chloro-6-piperazin-1-yl-pyridazine (56392-83-7)

Guidance literature:

3,6-Dichlorpyridazin, Piperazin/HCl/H2O;

DOI:10.1021/jm00341a016

upstream raw materials:

piperazine

3,6-dichlorpyridazine

4-(6-chloro-pyridazin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

3-chloro-6-[4-(2-phenylethyl)-1-piperazinyl]pyridazine

benzyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate

[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-(2-trifluoromethylphenyl)methanone

1-(3'-pyridazinyl)piperazine

Refernces

• 1、 -. "NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS". Page/Page column 25-26. . Retrieved 2010/02/17.
• 2、 Tafesse, Laykea,Sun, Qun,Schmid, Lori,Valenzano, Kenneth J.,Rotshteyn, Yakov,Su, Xin,Kyle, Donald J.. "Synthesis and evaluation of pyridazinylpiperazines as vanilloid receptor 1 antagonists". . p. 5513 - 5519. Retrieved 2007/10/03.