6-chloro-N-(4-methylphenyl)pyridazin-3-amine

Base Information

• Chemical Name: 6-chloro-N-(4-methylphenyl)pyridazin-3-amine
• CAS No.: 79232-88-5
• Molecular Formula: C11H10ClN3
• Molecular Weight: 219.67000
• DSSTox Substance ID: DTXSID30423364
• Wikidata: Q82235568
• Mol file: 79232-88-5.mol

Synonyms:79232-88-5;6-chloro-N-(4-methylphenyl)pyridazin-3-amine;6-chloro-N-(p-tolyl)pyridazin-3-amine;(6-chloro-pyridazin-3-yl)-p-tolyl-amine;Oprea1_062681;DTXSID30423364;AKOS009038162

Chemical Property of 6-chloro-N-(4-methylphenyl)pyridazin-3-amine

Chemical Property:

• Vapor Pressure: 2.24E-07mmHg at 25°C
• Boiling Point: 423.4oC at 760 mmHg
• Flash Point: 209.9oC
• PSA: 37.81000
• Density: 1.291g/cm3
• LogP: 3.25500
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.0563250
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=NN=C(C=C2)Cl

Technology Process of 6-chloro-N-(4-methylphenyl)pyridazin-3-amine

There total 2 articles about 6-chloro-N-(4-methylphenyl)pyridazin-3-amine 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:

3,6-dichlorpyridazine (141-30-0) + p-toluidine (106-49-0,12221-03-3) → (6-chloro-pyridazin-3-yl)-p-tolyl-amine (79232-88-5)

Guidance literature:

3,6-dichlorpyridazine; p-toluidine; In ethanol; for 0.5h; Reflux;

With sodium hydroxide; In ethanol; water;

DOI:10.1016/j.bmcl.2012.11.030

Reference yield:

→ (6-chloro-pyridazin-3-yl)-p-tolyl-amine (79232-88-5)

Guidance literature:

3,6-Dichlor-pyridazin, p-Toludin, Δ/A. (neben IIIb);

Reference yield: 75.0%

(6-chloro-pyridazin-3-yl)-p-tolyl-amine (79232-88-5) → 6-chloro-N-(4-methyl-2-nitrophenyl)pyridazin-3-amine

Guidance literature:

With silver(I) nitrite; oxygen; cobalt(II) diacetate tetrahydrate; In tetrahydrofuran; at 80 ℃; for 6h; regioselective reaction;

DOI:10.1021/acs.joc.7b00808

upstream raw materials:

3,6-dichlorpyridazine

p-toluidine

Downstream raw materials:

3-phenyl-6-p-toluidinopyridazine

C₁₈H₁₇N₃O

Refernces

• 1、 Medda, Federico,Sells, Earlphia,Chang, Hui-Hua,Dietrich, Justin,Chappeta, Shashi,Smith, Breland,Gokhale, Vijay,Meuillet, Emmanuelle J.,Hulme, Christopher. "Synthesis and biological activity of aminophthalazines and aminopyridazines as novel inhibitors of PGE2 production in cells". . p. 528 - 531. Retrieved 2013/02/25.