Azaconazole

Base Information

• Chemical Name: Azaconazole
• CAS No.: 60207-31-0
• Molecular Formula: C12H11 Cl2 N3 O2
• Molecular Weight: 300.144
• Hs Code.: 29349990
• European Community (EC) Number: 262-102-3
• UNII: 45683D94EU
• DSSTox Substance ID: DTXSID3041613
• Nikkaji Number: J17.947G
• Wikidata: Q15632846
• NCI Thesaurus Code: C75197
• ChEMBL ID: CHEMBL261627
• Mol file: 60207-31-0.mol

Synonyms:1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole;azaconazole;R 28644

Chemical Property of Azaconazole

Chemical Property:

• Vapor Pressure: 1.14E-08mmHg at 25°C
• Melting Point: 112.6°C
• Boiling Point: 460.7 °C at 760 mmHg
• PKA: 2.94±0.12(Predicted)
• Flash Point: 232.4 °C
• PSA: 49.17000
• Density: 1.51 g/cm³
• LogP: 2.48470
• Storage Temp.: 0-6°C
• Water Solubility.: 300 mg l-1 (20 °C)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 299.0228320
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

98%min ^*data from raw suppliers

Azaconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 46

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
• Uses: Fungicide for cultivation on wood; preservative for composite wood products. Azaconazole is particularly active against wood-destroying and sapstain fungi. It is also used as a disinfectant in mushroom cultivation and on storage boxes for fruit and vegetables.
• Therapeutic Function: Antifungal

Technology Process of Azaconazole

There total 10 articles about Azaconazole 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: 59.98%

1,2,4-Triazole (288-88-0) + 2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane → azaconazole (60207-31-0)

Guidance literature:

1,2,4-Triazole; With sodium; In methanol; at 20 ℃; for 0.5h;

2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane; With potassium iodide; for 3h; Reflux;

Reference yield: 56.7%

ethylene glycol (107-21-1) + 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1) → azaconazole (60207-31-0)

Guidance literature:

With toluene-4-sulfonic acid; In pentan-1-ol; for 20h; Reflux;

Reference yield:

1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → azaconazole (60207-31-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bromine / butan-1-ol / 2 h / 20 °C

1.2: 4 h / Reflux

2.1: sodium / methanol / 0.5 h / 20 °C

2.2: 3 h / Reflux

With bromine; sodium; In methanol; butan-1-ol;

upstream raw materials:

1,2,4-Triazole

ethylene glycol

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

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

Refernces

• 1、 -. "Synthesis method of azaconazole intermediate". Paragraph 0055. . Retrieved 2019/01/04.
• 2、 -. "Utilization of 3-phenyl-pyrones for pest control". . . Retrieved 2008/06/13.