1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-

Base Information

• Chemical Name: 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-
• CAS No.: 87539-93-3
• Molecular Formula: C22H17N5
• Molecular Weight: 351.41
• DSSTox Substance ID: DTXSID00236387
• Nikkaji Number: J2.163.851J
• Wikidata: Q83118334
• ChEMBL ID: CHEMBL273680
• Mol file: 87539-93-3.mol

Synonyms:BRN 6436751;1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-;CHEMBL273680;87539-93-3;3-Phenyl-N-(phenylmethyl)-1,2,4-triazolo(3,4-a)phthalazin-6-amine;DTXSID00236387;C22H17N5;BDBM50018840;C22-H17-N5;LS-156565;N-Benzyl-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine-6-amine;Benzyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine

Chemical Property of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.28g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 351.14839556
• Heavy Atom Count: 27
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=CC=C5

Technology Process of 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)-

There total 7 articles about 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, 3-phenyl-N-(phenylmethyl)- 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: 88.0%

6-chloro-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine (56813-54-8) + benzylamine (100-46-9) → Benzyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine (87539-93-3)

Guidance literature:

With hydrogenchloride; potassium iodide; In ethanol; at 100 ℃; for 8h;

DOI:10.1021/jm00401a010

Reference yield: 62.0%

1,4-dichlorophthalazine (4752-10-7) + benzoic acid hydrazide (613-94-5) + benzylamine (100-46-9) → Benzyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine (87539-93-3)

Guidance literature:

Multistep reaction;

DOI:10.1016/j.tetlet.2005.02.154

Reference yield:

1,4-dichlorophthalazine (4752-10-7) → Benzyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine (87539-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / Et₃N / dioxane / 60 h / Heating

2: 8 h / 120 °C

With triethylamine; In 1,4-dioxane;

DOI:10.1021/jm031020p

upstream raw materials:

6-chloro-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine

benzylamine

1,4-dichlorophthalazine

benzoic acid hydrazide