3-Chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine

Base Information

• Chemical Name: 3-Chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine
• CAS No.: 669770-60-9
• Molecular Formula: C11H8ClFN2
• Molecular Weight: 222.649
• DSSTox Substance ID: DTXSID20470266

Synonyms:669770-60-9;3-Chloro-6-(2-fluoro-4-methylphenyl)pyridazine;3-Chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine;SCHEMBL1145989;DTXSID20470266;WZEKOPJYIHWNCT-UHFFFAOYSA-N;EN300-1586843

Chemical Property of 3-Chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 222.0360041
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=NN=C(C=C2)Cl)F

Technology Process of 3-Chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine

There total 1 articles about 3-Chloro-6-(2-fluoro-4-methyl-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:

4-bromo-3-fluorotoluene (452-74-4) → 3-chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine (669770-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: n-butyllithium; Triisopropyl borate / tetrahydrofuran; hexane; toluene / 2 h / -40 °C

2: potassium fluoride / tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine / 1,4-dioxane / 48 h / 120 °C

With potassium fluoride; n-butyllithium; Triisopropyl borate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; In tetrahydrofuran; 1,4-dioxane; hexane; toluene;

Reference yield:

3-chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine (669770-60-9) + (R)-quinuclidin-3-ol (25333-42-0) → (R)-3-[6-(2-fluoro-4-methyl-phenyl)-pyridazin-3-yloxy]-1-aza-bicyclo[2.2.2]octane

Guidance literature:

(R)-quinuclidin-3-ol; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 50 ℃; for 2h;

3-chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine; In DMF (N,N-dimethyl-formamide); for 24h;

Reference yield:

1-aza-bicyclo[3.3.1]nonan-4-ol (74844-76-1) + 3-chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine (669770-60-9) → (rac.)-4-[6-(2-fluoro-4-methyl-phenyl)-pyridazin-3-yloxy]-1-aza-bicyclo[3.3.1]nonane

Guidance literature:

1-aza-bicyclo[3.3.1]nonan-4-ol; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

3-chloro-6-(2-fluoro-4-methyl-phenyl)-pyridazine; In DMF (N,N-dimethyl-formamide); at 50 ℃; for 16h;

upstream raw materials:

4-bromo-3-fluorotoluene

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