4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE

Base Information

• Chemical Name: 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
• CAS No.: 96490-18-5
• Molecular Formula: C8H11 Cl N2 O S
• Molecular Weight: 218.707
• Hs Code.: 2933990090
• Mol file: 96490-18-5.mol

Synonyms:4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE

Chemical Property of 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE

Chemical Property:

• PSA: 73.69000
• LogP: 1.94040

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone is an intermediate used in the synthesis of Pyridaben is a pyridazinone derivative used as an insecticide and acaricide. In the European Union, Pyridaben has been authorized for use as an insecticide and acaricide from 1 May 2011. In Germany, Austria and Switzerland, no plant protection products containing this active substance are authorized. Pyridaben is a colorless solid that is practically insoluble in water. Cannabis testing.

Technology Process of 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE

There total 3 articles about 4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE 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: 90.0%

2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one (84956-71-8) → 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5)

Guidance literature:

With sodium hydrogensulfide; In ethanol; at 0 ℃; for 2h;

DOI:10.1021/jf0208029

Reference yield:

pyrographite (7440-44-0) + 2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one (84956-71-8) → 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5)

Guidance literature:

With hydrogenchloride; sodium hydrogensulfide; In water;

Reference yield:

(Z)-4-(tert-Butyl-hydrazono)-2,3-dichloro-but-2-enoic acid → 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / acetic acid / 0.33 h / Heating

2: 1.) Na₂S, 2.) 12N HCl / 1.) H₂O, 70-100 deg C, 4 h, 2.) room temperature

With hydrogenchloride; sodium sulfide; In acetic acid;

DOI:10.1002/(SICI)1099-1344(199803)41:3<191::AID-JLCR74>3.0.CO;2-I

upstream raw materials:

2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one

pyrographite

Downstream raw materials:

2-tert-butyl-4-chloro-5-(4-methoxycyclohexyl)-methylthio-3(2H)-pyridazinone

Refernces

• 1、 Dang, Mingming,Liu, Minhua,Huang, Lu,Ou, Xiaoming,Long, Chuyun,Liu, Xingping,Ren, Yeguo,Zhang, Ping,Huang, Mingzhi,Liu, Aiping. "Design, synthesis, and bioactivities of novel pyridazinone derivatives containing 2-phenylthiazole or oxazole skeletons". . p. 4088 - 4098. Retrieved 2020/10/02.
• 2、 -. "Contrast agents for myocardial perfusion imaging". Page/Page column 50. . Retrieved 2010/02/13.