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

Base Information

• Chemical Name: 6-Chloro-3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazine
• CAS No.: 298684-59-0
• Molecular Formula: C₁₀H₄ClF₃N₄
• Molecular Weight: 272.617
• DSSTox Substance ID: DTXSID801326689
• ChEMBL ID: CHEMBL1717061

Synonyms:6-Chloro-3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazine;6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[3,4-a]phthalazine;298684-59-0;MLS001202595;SCHEMBL5515985;CHEMBL1717061;DTXSID801326689;HMS1694K17;HMS2822A04;AKOS000528642;SMR000517861;SR-01000461579;SR-01000461579-1;BRD-K23111785-001-08-7;6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

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

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 272.0076583
• Heavy Atom Count: 18
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=NN=C(N3N=C2Cl)C(F)(F)F

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

There total 1 articles about 6-Chloro-3-trifluoromethyl-[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:

phthalic anhydride (85-44-9) → 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (298684-59-0)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrazine hydrate; acetic acid / 120 °C

2: trichlorophosphate / 110 °C

3: hydrazine hydrate / ethanol / 78 °C

4: 140 °C

With hydrazine hydrate; acetic acid; trichlorophosphate; In ethanol;

DOI:10.1016/j.bioorg.2020.103899

Reference yield: 53.0%

benzylamine (100-46-9) + 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (298684-59-0) → N-benzyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

Guidance literature:

With hydrogenchloride; potassium iodide; In ethanol; for 72h; Reflux;

DOI:10.1002/anie.201610816

Reference yield: 47.0%

(1S,2S)-N,N-dimethylcyclohexane-1,2-diamine (894493-95-9) + 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazine (298684-59-0) → (1S,2S)-N1,N1-dimethyl-N2-(3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)cyclohexane-1,2-diamine

Guidance literature:

With hydrogenchloride; potassium iodide; In ethanol; for 72h; Reflux;

DOI:10.1002/anie.201610816

upstream raw materials:

phthalic anhydride

Downstream raw materials:

(S)-phenethyl-{1-[6-(3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyridin-2-yl]-ethyl}-carbamic acid tert-butyl ester

(S)-[2-(3-bromo-phenyl)-ethyl]-{1-[6-(3-trifluoromethyl-3H-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl)-pyndin-2-yl]-ethyl}-carbamic acid tert-butyl ester

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