Fluopyram

Base Information

• Chemical Name: Fluopyram
• CAS No.: 658066-35-4
• Molecular Formula: C16H11ClF6N2O
• Molecular Weight: 396.72
• European Community (EC) Number: 619-797-7
• UNII: F0VT7K5302
• DSSTox Substance ID: DTXSID9058151
• Nikkaji Number: J2.854.782J
• Wikipedia: Fluopyram
• Wikidata: Q15632704
• ChEMBL ID: CHEMBL2286755
• Mol file: 658066-35-4.mol

Synonyms:fluopyram;N-(2-(3-chloro-5-(trifluoromethyl)-2-pyridyl)ethyl)-alpha,alpha,alpha-trifluoro-o-toluamide

Chemical Property of Fluopyram

Chemical Property:

• Vapor Pressure: 1.12E-07mmHg at 25°C
• PSA: 41.99000
• LogP: 5.13600
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 396.0464096
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F

Technology Process of Fluopyram

There total 29 articles about Fluopyram 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%

C22H19ClF6N2O5 (895525-74-3) → fluopyram (658066-35-4)

Guidance literature:

With trifluorormethanesulfonic acid; In tert-butyl alcohol; at 126 - 127 ℃; for 4h; under 3000.3 Torr; Autoclave;

Reference yield: 93.6%

C16H10Cl2F6N2O → fluopyram (658066-35-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; triethylamine; In methanol; at 20 ℃; under 3040.2 Torr; Solvent; Pressure;

Reference yield: 93.0%

2-bromo-3-chloro-5-(trifluoromethyl)pyridine (75806-84-7) + 2-(trifluoromethyl)-N-vinylbenzamide (1450903-41-9) → fluopyram (658066-35-4)

Guidance literature:

With Cyclohexanethiol; 10-phenyl-10H-phenothiazine; sodium formate; In water; dimethyl sulfoxide; at 23 ℃; for 16h; regioselective reaction; Irradiation; Inert atmosphere; Sealed tube; Cooling;

DOI:10.1021/jacs.9b01077

upstream raw materials:

2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-ethanamine

2-trifluoromethylbenzoyl chloride

2,3-dichloro-5-trifluoromethylpyridine

2-trifluoromethylbenzoic acid

Downstream raw materials:

N-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methoxyethyl}-2-(trifluoromethyl)benzamide

N-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethylidene}-2-(trifluoromethyl)benzamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-{[2-(trifluoromethyl)benzoyl]amino}ethyl acetate