Etoxazole

Base Information

• Chemical Name: Etoxazole
• CAS No.: 153233-91-1
• Molecular Formula: C₂₁H₂₃F₂NO₂
• Molecular Weight: 359.416
• European Community (EC) Number: 604-891-2
• UNII: LBE5H21G6L
• DSSTox Substance ID: DTXSID8034586
• Nikkaji Number: J723.676J
• Wikipedia: Etoxazole
• Wikidata: Q1371651
• Metabolomics Workbench ID: 56239
• ChEMBL ID: CHEMBL1881674
• Mol file: 153233-91-1.mol

Synonyms:2-(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole;etoxazole

Chemical Property of Etoxazole

Chemical Property:

• Vapor Pressure: 7.78E-08mmHg at 25°C
• Melting Point: 101-102oC
• Refractive Index: 1.537
• Boiling Point: 449.1 °C at 760 mmHg
• PKA: 2.04±0.70(Predicted)
• Flash Point: 225.4 °C
• PSA: 30.82000
• Density: 1.15 g/cm³
• LogP: 4.61470
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 359.16968530
• Heavy Atom Count: 26
• Complexity: 495

Purity/Quality:

99% ^*data from raw suppliers

Etoxazole-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
• Description: Etoxazole is an organofluorine acaricide. It induces toxicity in two-spotted spider mite (T. urticae) larvae (LC50 = 0.036 mg/L for the London reference strain) through inhibition of chitin synthase 1. It reduces acetylcholinesterase (AChE) activity in the freshwater fish O. niloticus in a concentration-dependent manner. Etoxazole (2.2-22 mg/kg per day) inhibits the activity of catalase, glutathione peroxidase (GPX), and AChE in the liver and kidneys of rats in a dose-dependent manner. Formulations containing etoxazole have been used for the control of mites in agriculture.
• Uses: Etoxazole is a acaricide/insecticide that works via chitin biosynthesis inhibition for the control of mites. Acaricide. Isotope labelled Etoxazole is a acaricide/insecticide that works via chitin biosynthesis inhibition for the control of mites. Used as a standard for Pesticide detection. Useful in cannabis testing kits as a component of pesticide mixes (P698235).

Technology Process of Etoxazole

There total 2 articles about Etoxazole 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: 62.5%

N-(2,6-difluorobenzoyl)-2-amino-2-(2-ethoxy-4-tert-butylphenyl)ethanol → etoxazole (153233-91-1)

Guidance literature:

With sodium hydroxide; thionyl chloride; In methanol; hexane; ethyl acetate; benzene;

Reference yield:

→ etoxazole (153233-91-1)

Guidance literature:

Reference yield: 72.0%

etoxazole (153233-91-1) + potassium trifluoro(methyl)boranuide → 4-(4-(tert-butyl)-2-ethoxy-6-methylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydrooxazole

Guidance literature:

With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver carbonate; In neat (no solvent); at 73 ℃; for 1h; regioselective reaction; Milling;

DOI:10.1002/anie.202010202

Refernces

• 1、 -. "ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES". . . Retrieved 2010/08/18.