3,4,6-Trichloropyridazine

Base Information

• Chemical Name: 3,4,6-Trichloropyridazine
• CAS No.: 6082-66-2
• Molecular Formula: C4HCl3N2
• Molecular Weight: 183.424
• Hs Code.: 2933990090
• European Community (EC) Number: 629-902-8
• NSC Number: 51080,19451
• DSSTox Substance ID: DTXSID10209663
• Nikkaji Number: J337.689C
• Wikidata: Q72510381
• Mol file: 6082-66-2.mol

Synonyms:3,4,6-trichloropyridazine

Chemical Property of 3,4,6-Trichloropyridazine

Chemical Property:

• Vapor Pressure: 0.000805mmHg at 25°C
• Melting Point: 55.0 to 59.0 °C
• Refractive Index: 1.578
• Boiling Point: 315.521 °C at 760 mmHg
• PKA: -2.72±0.10(Predicted)
• Flash Point: 173.901 °C
• PSA: 25.78000
• Density: 1.642 g/cm³
• LogP: 2.43680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.920531
• Heavy Atom Count: 9
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

3,4,6-Trichloropyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NN=C1Cl)Cl)Cl
• Uses: 3,4,6-Trichloropyridazine was used to study chloropyridazine derivatives as human rhinovirus capsid-binding inhibitors.

Technology Process of 3,4,6-Trichloropyridazine

There total 10 articles about 3,4,6-Trichloropyridazine 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: 92.0%

4-bromo-1,2-dihydropyridazine-3,6-dione (15456-86-7,43068-41-3) → 3,4,6-trichloropyridazine (6082-66-2)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 5h;

DOI:10.1021/jo501930s

Reference yield: 87.0%

bromomaleic anhydride (5926-51-2) → 3,4,6-trichloropyridazine (6082-66-2)

Guidance literature:

bromomaleic anhydride; With hydrazine; In water; for 4h; Reflux;

With trichlorophosphate; for 3.5h; Reflux;

DOI:10.1016/j.bmcl.2016.03.106

Reference yield: 82.0%

4-Brom-pyridazin-3,6-diol (15456-86-7) → 3,4,6-trichloropyridazine (6082-66-2)

Guidance literature:

With trichlorophosphate; Reflux;

DOI:10.1021/jacs.9b02738

upstream raw materials:

4-chloro-1,2-dihydro-pyridazine-3,6-dione

4-bromo-1,2-dihydropyridazine-3,6-dione

3,6-dichlorpyridazine

pyridazine-3,4,6-triol

Downstream raw materials:

[3-(3,8-dichloro-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-propyl]-dimethyl-amine

[3-(3-chloro-8-nitro-benzo[b]pyridazino[4,3-e][1,4]oxazin-5-yl)-propyl]-dimethyl-amine

3-chloro-5-phenyl-5,6-dihydro-benzo[f]pyridazino[3,4-b][1,4]oxazepine

3-chloro-5-(4-methoxy-phenyl)-5,6-dihydro-benzo[f]pyridazino[3,4-b][1,4]oxazepine

Refernces

• 1、 -. "THYROID HORMONE RECEPTOR AGONISTS AND USES THEREOF". Paragraph 00333; 00334; 00383. . Retrieved 2020/01/08.
• 2、 Miles, Timothy J.,Hennessy, Alan J.,Bax, Ben,Brooks, Gerald,Brown, Barry S.,Brown, Pamela,Cailleau, Nathalie,Chen, Dongzhao,Dabbs, Steven,Davies, David T.,Esken, Joel M.,Giordano, Ilaria,Hoover, Jennifer L.,Jones, Graham E.,Kusalakumari Sukmar, Senthill K.,Markwell, Roger E.,Minthorn, Elisabeth A.,Rittenhouse, Steve,Gwynn, Michael N.,Pearson, Neil D.. "Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases". . p. 2464 - 2469. Retrieved 2016/07/07.