Quinoxyfen

Base Information

• Chemical Name: Quinoxyfen
• CAS No.: 124495-18-7
• Deprecated CAS: 203063-70-1
• Molecular Formula: C15H8Cl2FNO
• Molecular Weight: 308.139
• Hs Code.: 38220090
• European Community (EC) Number: 602-997-3
• UNII: PPC78J1VCW
• DSSTox Substance ID: DTXSID2034881
• Nikkaji Number: J907.013C
• Wikidata: Q961155
• ChEMBL ID: CHEMBL1869863
• Mol file: 124495-18-7.mol

Synonyms:5,7-dichloro-4-(4-fluorophenoxy)quinoline;quinoxyfen

Chemical Property of Quinoxyfen

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 5.62E-07mmHg at 25°C
• Melting Point: 105-106°
• Refractive Index: 1.648
• Boiling Point: 423.153 °C at 760 mmHg
• PKA: 2.87±0.50(Predicted)
• Flash Point: 209.716 °C
• PSA: 22.12000
• Density: 1.43 g/cm³
• LogP: 5.47300
• Storage Temp.: 0-6°C
• Water Solubility.: 0.12 mg l-1 (20 °C)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 306.9966974
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Quinoxyfen ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi,N
• Statements: 43-50/53
• Safety Statements: 24-37-46-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
• Uses: Quinoxyfen is under development for the control of powdery mildew in cereals and grapes. Agricultural fungicide.

Technology Process of Quinoxyfen

There total 7 articles about Quinoxyfen 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: 96.0%

4,5,7-trichloroquinoline (23834-01-7) + sodium 4-hydroxybenzen-1-olate (30008-10-7) → 5,7-dichloro-4-(4-fluorophenoxy)quinoline (124495-18-7)

Guidance literature:

In N,N-dimethyl-formamide; at 50 - 80 ℃; for 6h; Temperature;

Reference yield: 93.0%

4-Fluorophenol (371-41-5) + 4,5,7-trichloroquinoline (23834-01-7) → 5,7-dichloro-4-(4-fluorophenoxy)quinoline (124495-18-7)

Guidance literature:

With sodium ethanolate; sodium amide; In o-xylene; at 145 ℃; for 7h;

Reference yield:

3,5-Dichloroaniline (626-43-7) → 5,7-dichloro-4-(4-fluorophenoxy)quinoline (124495-18-7)

Guidance literature:

Multi-step reaction with 6 steps

1: zinc(II) chloride; acetic acid / water / 2.7 h / 99 °C

2: sodium hydroxide / water; ethanol / 6 h / 88 °C

3: polyphosphoric acid / toluene / 3 h / 110 °C

4: palladium on activated charcoal / 8 h / 125 °C

5: trichlorophosphate / 1,2-dichloro-ethane / 18 - 25 °C

6: N,N-dimethyl-formamide / 6 h / 50 - 80 °C

With palladium on activated charcoal; acetic acid; sodium hydroxide; zinc(II) chloride; trichlorophosphate; In ethanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; toluene;

upstream raw materials:

4-Fluorophenol

4,5,7-trichloroquinoline

sodium 4-hydroxybenzen-1-olate

3,5-Dichloroaniline

Refernces

• 1、 -. "A phenoxy quinoline and its synthetic method (by machine translation)". Paragraph 0061-0062; 0075-0076; 0077-0078; 0084; 0085-0086. . Retrieved 2018/11/04.
• 2、 -. "Quinoline and cinnoline fungicides". . . Retrieved 2008/06/13.