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

Base Information

• Chemical Name: 6-Chloro-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
• CAS No.: 56813-54-8
• Molecular Formula: C15H9ClN4
• Molecular Weight: 280.716
• DSSTox Substance ID: DTXSID00363622
• Wikidata: Q82147346
• Mol file: 56813-54-8.mol

Synonyms:6-chloro-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine;6-chloro-3-phenyl[1,2,4]triazolo[3,4-a]phthalazine;56813-54-8;6-Chloro-3-phenyl-1,2,4-Triazolo[3,4-a]phthalazine;SCHEMBL497285;DTXSID00363622;STK683049;AKOS005597151;FT-0715548;6-Chloro-3phenyl-1,2,4-triazolo[3,4-a]phthalazine;BRD-K26287119-001-01-4;6-chloro-3-phenyl-1,2,4-triazolo[3,4-a] phthalazine;[1,2,4]Triazolo[3,4-a]phthalazine, 6-chloro-3-phenyl-

Chemical Property of 6-Chloro-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.0515740
• Heavy Atom Count: 20
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)Cl

Technology Process of 6-Chloro-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

There total 14 articles about 6-Chloro-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: 89.0%

→ 6-chloro-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine (56813-54-8)

Guidance literature:

In butan-1-ol; Reflux;

Reference yield: 78.2%

1-chloro-4-hydrazinophthalazine (51935-42-3,59275-72-8) + benzoyl chloride (98-88-4) → 6-chloro-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine (56813-54-8)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 110 ℃;

DOI:10.1016/j.bmcl.2013.12.010

Reference yield: 74.0%

benzaldehyde (4-chloro-phthalazin-1-yl)-hydrazone (56813-52-6,67458-24-6) → 6-chloro-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine (56813-54-8)

Guidance literature:

With bromine; sodium acetate; In acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00401a010

upstream raw materials:

4-chloro-1-phthalazinone hydrazone

N-phenylbenzohydrazonoyl chloride

2-methyl-4-chloro-1-phthalazinone hydrazone

4-chloro-1-phthalazinone benzylidenehydrazone

Downstream raw materials:

3-phenyl-6-(1-pyrrolidinyl)-1,2,4-triazolo[3,4-a]phthalazine

3-phenyl-6-(4-methylpiperazin-1-yl)-1,2,4-triazolo[3,4-α]phthalazine

Ethyl-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-amine

3-phenyl-N,N-dimethyl-1,2,4-triazolo[3,4-a]phthalazin-6-amine