Propiconazole

Base Information

• Chemical Name: Propiconazole
• CAS No.: 60207-90-1
• Deprecated CAS: 75881-82-2,125407-52-5,181591-67-3
• Molecular Formula: C15H17Cl2N3O2
• Molecular Weight: 342.225
• Hs Code.: 29349990
• European Community (EC) Number: 262-104-4
• UNII: 142KW8TBSR
• DSSTox Substance ID: DTXSID8024280
• Nikkaji Number: J18.426H
• Wikipedia: Propiconazole
• Wikidata: Q414357
• NCI Thesaurus Code: C97997
• Metabolomics Workbench ID: 50019
• ChEMBL ID: CHEMBL560579
• Mol file: 60207-90-1.mol

Synonyms:1-((2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole;propiconazole

Chemical Property of Propiconazole

Chemical Property:

• Appearance/Colour: normally provided as a yellow liquid
• Vapor Pressure: 2.26E-09mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: 1.623
• Boiling Point: 479.9 °C at 760 mmHg
• PKA: 2.94±0.12(Predicted)
• Flash Point: 244.1 °C
• PSA: 49.17000
• Density: 1.39 g/cm³
• LogP: 3.65340
• Storage Temp.: APPROX 4°C
• Water Solubility.: 100 mg l-1(2O °C)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 341.0697822
• Heavy Atom Count: 22
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

Propiconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, T, F
• Hazard Codes: Xn,N,T,F
• Statements: 22-43-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-46-60-61-45-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
• Description: Propiconazole is a mixture of four stereoisomers and was first developed in 1979 by Janssen Pharmaceutical of Belgium.
• Uses: Labelled Propiconazole (P770100). Systemic foliar fungicide. Agricultural fungicide. Agricultural fungicide. Propiconazole is a triazole-based fungicide that is used to control fungi in agriculture, on turf, and in wood.

Technology Process of Propiconazole

There total 13 articles about Propiconazole 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: 98.9%

1,2-pentanediol (5343-92-0) + 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1) → Propiconazole (60207-90-1)

Guidance literature:

With toluene-4-sulfonic acid; In cyclohexane; for 8h; Reflux;

Reference yield: 97.5%

1,2,4-Triazole (288-88-0) + propiconazole iodide → Propiconazole (60207-90-1)

Guidance literature:

1,2,4-Triazole; With sodium hydroxide; In toluene; Reflux;

propiconazole iodide; In N,N-dimethyl-formamide; at 90 - 100 ℃; Solvent;

Reference yield: 96.3%

1,2,4-Triazole (288-88-0) + 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane (60207-89-8) → Propiconazole (60207-90-1)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydroxide; In butanone; at 80 ℃; for 12h; Reagent/catalyst; Solvent; Temperature;

upstream raw materials:

2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

1-(2,4-dichlorophenyl)ethan-1-one

1,2,4-Triazole

1,2-pentanediol

Downstream raw materials:

1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

[propicanazole(+1H)][RuCl₄(H₂O)2]

Refernces

• 1、 -. "High-yield preparation method of propiconazole". Paragraph 0017-0021. . Retrieved 2021/01/30.
• 2、 -. "Method for synthesizing propiconazole from isomer". Paragraph 0013; 0018-0037. . Retrieved 2021/11/03.