3-Methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine

Base Information

• Chemical Name: 3-Methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine
• CAS No.: 66548-89-8
• Molecular Formula: C13H9F3N4
• Molecular Weight: 278.236
• DSSTox Substance ID: DTXSID501155451
• Wikidata: Q107895765
• ChEMBL ID: CHEMBL352013

Synonyms:3-methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine;CHEMBL352013;SCHEMBL11624780;DTXSID501155451;3-Methyl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine;3-methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]-pyridazine;66548-89-8

Chemical Property of 3-Methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 278.07793079
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN=C2N1N=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Technology Process of 3-Methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine

There total 3 articles about 3-Methyl-6-(alpha,alpha,alpha-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]pyridazine 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: 58.0%

acetic acid hydrazide (1068-57-1) + 3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine (66548-88-7) → 3-methyl-6-(α,α,α-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]-pyridazine (66548-89-8)

Guidance literature:

In butan-1-ol; for 48h; Heating;

DOI:10.1021/jm00137a020

Reference yield:

acetic acid hydrazide (1068-57-1) + 3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine (66548-88-7) + butan-1-ol (71-36-3) → 3-methyl-6-(α,α,α-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]-pyridazine (66548-89-8)

Guidance literature:

In dichloromethane;

Reference yield:

→ 3-methyl-6-(α,α,α-trifluoro-p-tolyl)-1,2,4-triazolo[4,3-b]-pyridazine (66548-89-8)

Guidance literature:

3-Chloro-6-(α,α,α-trifluoro-p-tolyl)-pyridazin,Acetylhydrazid;

upstream raw materials:

acetic acid hydrazide

3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine

butan-1-ol

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