3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine

Base Information

• Chemical Name: 3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine
• CAS No.: 362661-27-6
• Molecular Formula: C15H17 Cl N4
• Molecular Weight: 288.78
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10452293
• Wikidata: Q82272828
• Mol file: 362661-27-6.mol

Synonyms:3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine;362661-27-6;SCHEMBL7146756;DTXSID10452293;AKOS002982430;TETRAHYDRO-FURAN-3-CARBONYLCHLORIDE;FT-0754336

Chemical Property of 3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine

Chemical Property:

• Vapor Pressure: 2.51E-09mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 478.7°C at 760 mmHg
• Flash Point: 243.3°C
• PSA: 32.26000
• Density: 1.258g/cm³
• LogP: 2.45510
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 288.1141743
• Heavy Atom Count: 20
• Complexity: 288

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=NN=C(C=C3)Cl

Technology Process of 3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine

There total 1 articles about 3-(4-Benzylpiperazin-1-yl)-6-chloropyridazine 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: 74.0%

3,6-dichlorpyridazine (141-30-0) + 1-phenylmethylpiperazine (2759-28-6) → 1-(6'-chloro-2'-pyridazinyl)-4-benzylpiperazine (362661-27-6)

Guidance literature:

at 90 ℃; for 4h;

DOI:10.1021/jm010901y

Reference yield: 68.0%

1-(6'-chloro-2'-pyridazinyl)-4-benzylpiperazine (362661-27-6) → 6-<4-benzyl-1-piperazinyl>-3(2H)-pyridazinone (145276-62-6)

Guidance literature:

With acetic acid; at 140 ℃; for 6h;

DOI:10.1016/S0014-827X(01)01037-0

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

upstream raw materials:

3,6-dichlorpyridazine

1-phenylmethylpiperazine

Downstream raw materials:

6-<4-benzyl-1-piperazinyl>-3(2H)-pyridazinone

1-(3'-pyridazinyl)piperazine