Flutriafol

Base Information

• Chemical Name: Flutriafol
• CAS No.: 76674-21-0
• Deprecated CAS: 1135441-08-5,87676-93-5
• Molecular Formula: C16H13F2N3O
• Molecular Weight: 301.296
• Hs Code.: 29339900
• European Community (EC) Number: 616-367-0,687-648-3
• UNII: 83P8CT2Z3H
• DSSTox Substance ID: DTXSID8040727
• Nikkaji Number: J372.951F
• Wikidata: Q1434425
• ChEMBL ID: CHEMBL2136951
• Mol file: 76674-21-0.mol

Synonyms:(RS)-2,4'-difluoro-alpha-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol;1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol;flutriafol

Chemical Property of Flutriafol

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 4.43E-11mmHg at 25°C
• Melting Point: 130oC
• Refractive Index: 1.6
• Boiling Point: 506.5 °C at 760 mmHg
• PKA: 11.60±0.29(Predicted)
• Flash Point: 260.1 °C
• PSA: 50.94000
• Density: 1.29 g/cm³
• LogP: 2.49240
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 130 mg l-1 (pH 7,20 °C)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 301.10266837
• Heavy Atom Count: 22
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Flutriafol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F
• Hazard Codes: Xn,F
• Statements: 22-36-20/21/22-11
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
• Recent ClinicalTrials: Preoperative Prehabilitation for Sarcopenic Patients Prior to Pancreatic Surgery for Cancer
• Recent EU Clinical Trials: Instant MSC Product accompanying Autologous Chondron Transplantation (IMPACT) for focal articular cartilage lesions of the knee; feasibility and safety
• Uses: Flutriafol is a systemic fungicide of the triazole class. Flutriafol has broad spectrum fungicidal activity and is used to control effectively cereal powdery mildew, cloud disease, leaf spot disease a nd rust disease. Agricultural fungicide. Flutriafol is used to control a wide variety of leaf and ear diseases in cereals. It is also used in seed treatment formulations to control the major soil-borne and seed-borne diseases of cereals.

Technology Process of Flutriafol

There total 4 articles about Flutriafol 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: 93.5%

1,2,4-Triazole (288-88-0) + 1-(2-fluorophenyl)-1-(4-fluorophenyl)ethylene oxide (88374-05-4) → flutriafol (76674-21-0,87676-93-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 140 ℃; for 0.333333h; Temperature;

Reference yield:

→ 1,2,4-Triazole (288-88-0) + flutriafol (76674-21-0,87676-93-5)

Guidance literature:

Reference yield:

2,4'-difluorobenzophenone (342-25-6) → flutriafol (76674-21-0,87676-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dimethyl sulfoxide / Heating; Green chemistry

1.2: 3 h / 30 - 40 °C / Green chemistry

2.1: dimethyl sulfoxide / 2 h / 130 - 140 °C / Green chemistry

With dimethyl sulfoxide;

upstream raw materials:

2,4'-difluorobenzophenone

1,2,4-Triazole

1-(2-fluorophenyl)-1-(4-fluorophenyl)ethylene oxide

Downstream raw materials:

(S)-(+)-flutriafol

(R)-flutriafol

Refernces

• 1、 -. "A synthesis method of flutriafol (by machine translation)". . . Retrieved 2019/01/08.
• 2、 -. "FUNGICIDAL MIXTURES". . . Retrieved 2012/04/18.