1-(Piperazin-1-yl)phthalazine

Base Information

• Chemical Name: 1-(Piperazin-1-yl)phthalazine
• CAS No.: 118306-90-4
• Molecular Formula: C12H14 N4
• Molecular Weight: 214.27
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20561901
• Wikidata: Q82445826
• Mol file: 118306-90-4.mol

Synonyms:1-(piperazin-1-yl)phthalazine;118306-90-4;1-piperazin-1-ylphthalazine;SCHEMBL2274982;DTXSID20561901;AKOS000123285;CS-0267685;EN300-43524;J-003734;F1967-2683;Z234895087

Chemical Property of 1-(Piperazin-1-yl)phthalazine

Chemical Property:

• PSA: 41.05000
• LogP: 1.43320
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 214.121846464
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

1-PIPERAZIN-1-YLPHTHALAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NN=CC3=CC=CC=C32

Technology Process of 1-(Piperazin-1-yl)phthalazine

There total 5 articles about 1-(Piperazin-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:

1,4-dichlorophthalazine (4752-10-7) → 1-piperazin-1-yl-phthalazine (118306-90-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / dimethylsulfoxide / 6 h / 100 °C

2: H₂ / Pd/C / methanol / 3 h / 20 °C

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2004.09.010

Reference yield:

4-chloro-1-(1-piperazinyl)phthalazine (223587-51-7) → 1-piperazin-1-yl-phthalazine (118306-90-4)

Guidance literature:

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

DOI:10.1016/j.bmcl.2004.09.010

Reference yield:

4-(4-chloro-1-phthalazinyl)-1-piperazinecarboxylic acid tert-butyl ester (201806-33-9) → 1-piperazin-1-yl-phthalazine (118306-90-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 801.6 mg / H₂ / Pd/C / acetic acid; H₂O / 3 h / 50 °C

2: CF₃COOH / CH₂Cl₂ / 1.5 h / cooling

With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; water; acetic acid;

DOI:10.1021/jm020505v

upstream raw materials:

4-(1-phthalazinyl)-1-piperazinecarboxylic acid tert-butyl ester

4-chloro-1-(1-piperazinyl)phthalazine

1,4-dichlorophthalazine

4-(4-chloro-1-phthalazinyl)-1-piperazinecarboxylic acid tert-butyl ester