1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine

Base Information

• Chemical Name: 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
• CAS No.: 320418-04-0
• Molecular Formula: C₂₅H₂₄N₄
• Molecular Weight: 380.492
• DSSTox Substance ID: DTXSID201209996
• ChEMBL ID: CHEMBL496013
• Mol file: 320418-04-0.mol

Synonyms:1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine;CHEMBL496013;320418-04-0;1-benzyl-4-(4-phenylpiperazino)phthalazine;D0R8DO;Oprea1_653246;SCHEMBL13444952;DTXSID201209996;BDBM50269040;AKOS005082019;PD179524;1E-099;1-(Phenylmethyl)-4-(4-phenyl-1-piperazinyl)phthalazine

Chemical Property of 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine

Chemical Property:

• Boiling Point: 630.6±55.0 °C(Predicted)
• PKA: 8.77±0.30(Predicted)
• Density: 1.200±0.06 g/cm3(Predicted)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 380.20009678
• Heavy Atom Count: 29
• Complexity: 491

Purity/Quality:

1-BENZYL-4-(4-PHENYLPIPERAZINO)PHTHALAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Technology Process of 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine

There total 2 articles about 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine 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: 21.0%

4-phenyl-1-piperazine (92-54-6) + 1-benzyl-4-chlorophthalazine (40848-53-1) → 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine (320418-04-0)

Guidance literature:

With triethylamine; In 1-methyl-pyrrolidin-2-one; at 180 ℃; for 0.5h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/jm900309j

Reference yield:

→ 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine (320418-04-0)

Guidance literature:

upstream raw materials:

4-phenyl-1-piperazine

1-benzyl-4-chlorophthalazine