Pyridaben

Base Information

• Chemical Name: Pyridaben
• CAS No.: 96489-71-3
• Molecular Formula: C19H25ClN2OS
• Molecular Weight: 364.939
• Hs Code.: 2933399027
• European Community (EC) Number: 405-700-3,619-218-8
• UNII: 2E4JBA5272
• DSSTox Substance ID: DTXSID5032573
• Nikkaji Number: J388.265I
• Wikidata: Q2119916
• Pharos Ligand ID: 9Z6CTC7HARHA
• Metabolomics Workbench ID: 55943
• ChEMBL ID: CHEMBL225963
• Mol file: 96489-71-3.mol

Synonyms:2-tert-butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one;pyridaben

Chemical Property of Pyridaben

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.35E-07mmHg at 25°C
• Melting Point: 111-112oC
• Refractive Index: 1.564
• Boiling Point: 429.9 °C at 760 mmHg
• PKA: -2.69±0.20(Predicted)
• Flash Point: 213.8 °C
• PSA: 60.19000
• Density: 1.12 g/cm³
• LogP: 5.24150
• Storage Temp.: 0-6°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 364.1376123
• Heavy Atom Count: 24
• Complexity: 535

Purity/Quality:

99% ^*data from raw suppliers

Pyridaben ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T;N,N,T
• Statements: 23/25-50/53
• Safety Statements: 36/37-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
• Uses: Pyridaben (NC-129, BAS 3001) is widely used as an acaricide with a long residual action and as an insecticide mainly against sucking insects. Trade names include Nexter, Oracle, Poseidon, Pyramite, Sanmite, and Starling. Pyridaben is a pyridazinone derivative used as an acaricide.

Technology Process of Pyridaben

There total 5 articles about Pyridaben 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: 87.9%

4-tert-butylbenzyl chloride (19692-45-6) + 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5) → pyridaben (96489-71-3)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide;

Reference yield: 80.0%

4-tert-butyltoluene (98-51-1) + 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5) → pyridaben (96489-71-3)

Guidance literature:

With N-Bromosuccinimide; di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate; In benzene; at 140 ℃; for 24h; Inert atmosphere;

Reference yield:

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene (18880-00-7) + 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone (96490-18-5) → pyridaben (96489-71-3)

Guidance literature:

With sodium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 16h;

upstream raw materials:

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

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

4-tert-butylbenzyl chloride

4-tert-butyltoluene

Downstream raw materials:

2-tert-butyl-4-[18F]-fluoro-5-(4-tert-butylbenzyl)-thio-3(2H)-pyridazinone

Refernces

• 1、 -. "Preparation method of alkyl sulfide". Paragraph 0069. . Retrieved 2019/12/02.
• 2、 -. "Contrast agents for myocardial perfusion imaging". Page/Page column 50. . Retrieved 2010/02/13.