Flucythrinate

Base Information

• Chemical Name: Flucythrinate
• CAS No.: 70124-77-5
• Deprecated CAS: 71611-31-9
• Molecular Formula: C26H23F2NO4
• Molecular Weight: 451.47
• Hs Code.: 29269090
• European Community (EC) Number: 274-322-7
• UNII: 57D0GAO3RX
• DSSTox Substance ID: DTXSID0022301
• Nikkaji Number: J73.247H
• Wikipedia: Flucythrinate
• Wikidata: Q1430580
• ChEMBL ID: CHEMBL2289397
• Mol file: 70124-77-5.mol

Synonyms:AC 222,705;AC 222705;AC-222705;flucythrinate

Chemical Property of Flucythrinate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: <25℃
• Refractive Index: 1.553
• Boiling Point: 545.1 °C at 760 mmHg
• Flash Point: 283.5 °C
• PSA: 68.55000
• Density: 1.219
• LogP: 6.62798
• Storage Temp.: APPROX 4°C
• Water Solubility.: 0.5 mg l-1 (22 °C)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 451.15951454
• Heavy Atom Count: 33
• Complexity: 650

Purity/Quality:

99.9% ^*data from raw suppliers

Flucythrinate PESTANAL?, analytical standard, mixture of stereo isomers ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xn,F
• Hazard Codes: T,N,Xn,F
• Statements: 20/21-25-50/53-67-65-38-11
• Safety Statements: 36/37-45-60-61-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Pyrethrins/Pyrethroids
• Canonical SMILES: CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
• Uses: Insecticide. Nonsystemic insecticide. Flucythrinate controls a wide range of insects on cotton, fruit trees, vines, citrus, bananas, pineapples, olives, coffee, cocoa, hops, vegetables, soyabeans, cereals, alfalfa, sugar beet, sunflowers and tobacco.

Technology Process of Flucythrinate

There total 4 articles about Flucythrinate 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:

2-hydroxy-2-(3-phenoxyphenyl)acetonitrile (39515-47-4) + 2-(4-difluoromethoxyphenyl)-3-methylbutyryl chloride (70125-00-7) → cyano(3-phenoxyphenyl)methyl 2-[(4-difluoromethoxy)phenyl]-3-methylbutyrate (70124-77-5)

Guidance literature:

In dichloromethane;

Reference yield:

dichloromethane hexane + 2-hydroxy-2-(3-phenoxyphenyl)acetonitrile (39515-47-4) + 2-(4-difluoromethoxyphenyl)-3-methylbutyryl chloride (70125-00-7) → cyano(3-phenoxyphenyl)methyl 2-[(4-difluoromethoxy)phenyl]-3-methylbutyrate (70124-77-5)

Guidance literature:

With pyridine; sodium borohydrid; In dichloromethane;

Reference yield:

methylene chloride (74-87-3) + 2-hydroxy-2-(3-phenoxyphenyl)acetonitrile (39515-47-4) + 2-(4-difluoromethoxyphenyl)-3-methylbutyryl chloride (70125-00-7) → cyano(3-phenoxyphenyl)methyl 2-[(4-difluoromethoxy)phenyl]-3-methylbutyrate (70124-77-5)

Guidance literature:

With pyridine; sodium borohydrid; In dichloromethane;

upstream raw materials:

2-hydroxy-2-(3-phenoxyphenyl)acetonitrile

2-(4-difluoromethoxyphenyl)-3-methylbutyryl chloride

methylene chloride

Refernces

• 1、 -. "Method for the racemization of (2)-2-(4-difluoromethoxyphenyl)-3-methylbutyric acid". . . Retrieved 2008/06/13.
• 2、 -. "Method for the alkylation of phenylacetonitriles". . . Retrieved 2008/06/13.