3-Chloro-6-[4-(trifluoromethyl)phenyl]pyridazine

Base Information

• Chemical Name: 3-Chloro-6-[4-(trifluoromethyl)phenyl]pyridazine
• CAS No.: 66548-88-7
• Molecular Formula: C11H6ClF3N2
• Molecular Weight: 258.63
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70498758

Synonyms:3-chloro-6-[4-(trifluoromethyl)phenyl]pyridazine;66548-88-7;Pyridazine, 3-chloro-6-[4-(trifluoromethyl)phenyl]-;3-Chloro-6-(4-(trifluoromethyl)phenyl)pyridazine;SCHEMBL1741626;3-chloro-6-(alpha,alpha,alpha-trifluoro-p-tolyl)pyridazine;DTXSID70498758;AKOS005068075;CS-0268148;3-chloro-6-(4-trifluoromethylphenyl)pyridazine;EN300-238532;3-chloro-6-(4-trifluoromethylphenyl)-pyridazine;3-chloro-6-(4-trifluoromethyl-phenyl)-pyridazine;F1967-0400;3-chloro-6-(alpha,alpha, alpha-trifluoro-p-tolyl)pyridazine

Chemical Property of 3-Chloro-6-[4-(trifluoromethyl)phenyl]pyridazine

Chemical Property:

• PSA: 25.78000
• LogP: 3.81580
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.0171604
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Pyridazine,3-chloro-6-[4-(trifluoromethyl)phenyl]- 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(C=C2)Cl)C(F)(F)F

Technology Process of 3-Chloro-6-[4-(trifluoromethyl)phenyl]pyridazine

There total 2 articles about 3-Chloro-6-[4-(trifluoromethyl)phenyl]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: 54.0%

3-chloro-6-iodopyridazine (135034-10-5) + tris(4-(trifluoromethyl)phenyl)bismuthane (109541-76-6) → 3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine (66548-88-7)

Guidance literature:

With palladium diacetate; triphenylphosphine; cesium fluoride; In N,N-dimethyl-formamide; at 90 ℃; for 24h; Reagent/catalyst; chemoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201200977

Reference yield:

→ 3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine (66548-88-7)

Guidance literature:

entspr. 3-(2H)Pyridazinon, POCl3;

Reference yield: 61.0%

formic acid hydrazide (624-84-0) + 3-chloro-6-(α,α,α-trifluoro-p-tolyl)pyridazine (66548-88-7) → 6-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine (66548-84-3)

Guidance literature:

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

DOI:10.1021/jm00137a020

upstream raw materials:

3-chloro-6-iodopyridazine

tris(4-(trifluoromethyl)phenyl)bismuthane

Downstream raw materials:

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

3-ethyl-6-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine

(R)-2-[6-(4-trifluoromethyl-phenyl)-pyridazin-3-yl]-octahydro-pyrido[1,2-a]pyrazine

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