Tetraconazole

Base Information

• Chemical Name: Tetraconazole
• CAS No.: 112281-77-3
• Molecular Formula: C13H11Cl2F4N3O
• Molecular Weight: 372.149
• European Community (EC) Number: 407-760-6,691-058-1
• UNII: 8FGY868T0G
• DSSTox Substance ID: DTXSID8034956
• Wikidata: Q27157376
• ChEMBL ID: CHEMBL2137654
• Mol file: 112281-77-3.mol

Synonyms:1H-1,2,4-triazole, 1-(2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl)-;2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether;tetraconazole

Chemical Property of Tetraconazole

Chemical Property:

• Vapor Pressure: 6.91E-08mmHg at 25°C
• Melting Point: 6 °C
• Refractive Index: 1.543
• Boiling Point: 438.435 °C at 760 mmHg
• PKA: 2.68±0.10(Predicted)
• Flash Point: 218.958 °C
• PSA: 39.94000
• Density: 1.506 g/cm³
• LogP: 4.24320
• Storage Temp.: 0-6°C
• Water Solubility.: 156 mg l-1(pH 7,ZO °C)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 371.0215300
• Heavy Atom Count: 23
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

Tetraconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 20/22-40-51/53
• Safety Statements: 36/37-41-61-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
• Uses: Tetraconazole is an conazole fungicide used to control pests in apple and strawberries. Agricultural fungicide. Tetraconazole controls powdery mildew, brown rust, Septoria and Rhyncosporium on cereals; powdery mildew and scab on apples; powdery mildew on vines and cucumbers; powdery mildew and beet leaf spot on sugar beet and powdery mildew and rust on vegetables.

Technology Process of Tetraconazole

There total 4 articles about Tetraconazole 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:

polytetrafluoroethylene (116-14-3,82785-14-6) + 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-ol → (RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether (112281-77-3,131320-41-7,131320-42-8)

Guidance literature:

With potassium hydroxide;

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-ol → (RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether (112281-77-3,131320-41-7,131320-42-8) + 1-[2-(2,4-dichlorophenyl)prop-2-en-1-yl]-1H-1,2,4-triazole

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; toluene; at 0 - 5 ℃; for 0.2h;

Reference yield:

2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-ol → (RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether (112281-77-3,131320-41-7,131320-42-8)

Guidance literature:

upstream raw materials:

polytetrafluoroethylene

Downstream raw materials:

(-)-S-1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole

(+)-R-1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole

(+)-tetraconazole

(-)-tetraconazole

Refernces

• 1、 -. "Synergistic Fungidical Active Substance Combinations". . . Retrieved 2008/12/04.
• 2、 -. "Iminoacetic acid amides and their use as pest control agents". . . Retrieved 2008/06/13.