Products Categories
| CAS No.: | 1093861-60-9 |
|---|---|
| Name: | AFOXOLANER |
| Molecular Structure: | |
|
|
|
| Formula: | C26H17ClF9N3O3 |
| Molecular Weight: | 625.878 |
| Synonyms: | 4-[5-[3-Chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide;Afoxolaner |
| Density: | 1.53±0.1 g/cm3(Predicted) |
| PSA: | 79.79000 |
| LogP: | 6.71990 |
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluoro-1-oxo-2-buten-1-yl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide
4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino))ethyl-1-naphthalenecarboxamide
| Conditions | Yield |
|---|---|
| With hydroxylamine sulfate; sodium hydroxide In tetrahydrofuran; water at 25℃; Product distribution / selectivity; | 84% |
| With sodium hydroxide; hydroxyammonium sulfate In tetrahydrofuran; water at 25℃; for 1.16667h; | 77% |
1-oxo-1-N-(2,2,2-trifluoroethyl)-1,2-diaminoethane hydrochloride
4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino))ethyl-1-naphthalenecarboxamide
| Conditions | Yield |
|---|---|
| With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 0.666667h; pH=10; | 77% |
4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino))ethyl-1-naphthalenecarboxamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: triethylamine; dmap; di-tert-butyl dicarbonate / toluene / 24 h / 20 °C 2: triethylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 0.67 h / 20 °C / pH 10 View Scheme |
4-bromonaphthalene-1-carboxylic acid
4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino))ethyl-1-naphthalenecarboxamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); XPhos / 1,2-dimethoxyethane / 50 °C / Molecular sieve; Inert atmosphere 2: triethylamine; dmap; di-tert-butyl dicarbonate / toluene / 24 h / 20 °C 3: triethylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 0.67 h / 20 °C / pH 10 View Scheme |
