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
DSSTox Substance ID:DTXSID10541631
Nikkaji Number:J1.470.696H
Wikidata:Q82418024
Mol file:96490-18-5.mol

Synonyms:96490-18-5;4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE;2-(tert-Butyl)-4-chloro-5-mercaptopyridazin-3(2H)-one;2-tert-butyl-4-chloro-5-sulfanylpyridazin-3-one;SCHEMBL3847199;DTXSID10541631;GLGQMFICPMIOHO-UHFFFAOYSA-N;2-tert-butyl-4-chloro-5-sulfanyl-pyridazin-3-one;A845601;2-t-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone;2-tert-Butyl-4-chloro-5-sulfanylpyridazin-3(2H)-one;2-tert.butyl-4-chloro-5-mercapto-3(2H)-pyridazinone;2-tert.-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone;2-tert-butyl-4-chloro-5-sulfanyl-2,3-dihydropyridazin-3-one

Suppliers and Price of 4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone
500mg
$ 315.00

American Custom Chemicals Corporation
4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3-(2H)-PYRIDAZINONE 95.00%
5MG
$ 501.47

Total 18 raw suppliers

Chemical Property of 4-Chloro-2-(1,1-dimethylethyl)-5-mercapto-3(2H)-pyridazinone

Chemical Property:

PSA：73.69000
LogP:1.94040
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.0280618
Heavy Atom Count:13
Complexity:304

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:

Canonical SMILES:CC(C)(C)N1C(=O)C(=C(C=N1)S)Cl
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%

: 84956-71-8
2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one

: 96490-18-5
2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

Guidance literature:: With sodium hydrogensulfide; In ethanol; at 0 ℃; for 2h;
DOI:10.1021/jf0208029

Reference yield:

: 7440-44-0
pyrographite

: 84956-71-8
2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one

: 96490-18-5
2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

Guidance literature:: With hydrogenchloride; sodium hydrogensulfide; In water;

Reference yield:

: (Z)-4-(tert-Butyl-hydrazono)-2,3-dichloro-but-2-enoic acid

: 96490-18-5
2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

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