3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine

Base Information

• Chemical Name: 3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine
• CAS No.: 70591-70-7
• Molecular Formula: C15H10N4
• Molecular Weight: 246.271
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40456269
• Nikkaji Number: J994.175D
• Mol file: 70591-70-7.mol

Synonyms:3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine;70591-70-7;SCHEMBL10711454;DTXSID40456269;3-Phenyl-s-triazolo[3,4-a]phthalazine

Chemical Property of 3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine

Chemical Property:

• PSA: 43.08000
• LogP: 2.94450
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 246.090546336
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3N2N=CC4=CC=CC=C43

Technology Process of 3-Phenyl-[1,2,4]triazolo[3,4-a]phthalazine

There total 12 articles about 3-Phenyl-[1,2,4]triazolo[3,4-a]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: 99.0%

benzaldehyde (1-phthalazine)hydrazone (67073-46-5) → 3-phenyl-s-triazolo[3,4-a]phthalazine (70591-70-7)

Guidance literature:

With bromine; sodium acetate; In acetic acid; at 90 ℃;

DOI:10.1021/jm00105a044

Reference yield: 98.2%

benzaldehyde 1-phthalazinylhydrazone (67073-46-5,67734-45-6) → 3-phenyl-s-triazolo[3,4-a]phthalazine (70591-70-7)

Guidance literature:

With thianthrene cation radical perchlorate; In acetonitrile; for 24h; Ambient temperature;

DOI:10.1080/00397919908085806

Reference yield: 70.0%

Benzoic acid N'-phthalazin-1-yl-hydrazide; hydrochloride (112382-00-0) → 3-phenyl-s-triazolo[3,4-a]phthalazine (70591-70-7)

Guidance literature:

In pyridine; Heating;

DOI:10.1002/jhet.5570240324

upstream raw materials:

1-hydrazinophthalazine

benzoyl chloride

benzaldehyde (1-phthalazine)hydrazone

1,2-[phenylenebis(methanylidene)] di(benzohydrazide)

Downstream raw materials:

2-(5-Phenyl-2H-[1,2,4]triazol-3-yl)-benzonitrile

2-(5-Phenyl-2H-[1,2,4]triazol-3-yl)-benzamide

3-(2-carbamoylphenyl)-5-phenyl-1H-1,2,4-triazole