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CAS No.: | 143782-20-1 |
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Name: | 4-(4,4-DiMethyl-2,5-dioxoiMidazolidin-1-yl)-2-trifluoroMethylbenzonitrile |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C13H10F3N3O2 |
Molecular Weight: | 297.237 |
Synonyms: | 4-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-trifluoromethylbenzonitrile;4-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-benzonitrile;N-3-trifluoromethyl-4-cyanophenyl-5,5-dimethyl hydantoin; |
Density: | 1.46±0.1 g/cm3(Predicted) |
PSA: | 76.69000 |
LogP: | 2.11688 |
4-iodo-2-(trifluoromethyl)benzonitrile
5,5-dimethyl-imidazolidine-2,4-dione
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With copper(I) oxide In N,N-dimethyl-formamide at 150℃; for 12h; | 98% |
With copper(I) oxide In N,N-dimethyl-formamide at 150℃; for 12h; | 98% |
With copper(I) oxide In N,N-dimethyl-formamide at 150℃; for 14h; Inert atmosphere; regioselective reaction; | 82% |
4-(4,4-Dimethyl-5-imino-2-oxo-1-imidazolidinyl)-2-trifluoromethyl-benzonitrile
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With hydrogenchloride; water for 0.583333h; Heating / reflux; | 95% |
With hydrogenchloride In water; isopropyl alcohol | |
With hydrogenchloride; water for 0.583333h; Reflux; | |
With hydrogenchloride; water In methanol for 0.5h; Reflux; |
phosgene
4-amino-2-trifluoromethylbenzonitrile
2-amino-isobutyric acid tert-butyl ester hydrochloride
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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Stage #1: phosgene; 4-amino-2-trifluoromethylbenzonitrile In toluene; acetonitrile at 70℃; Stage #2: 2-amino-isobutyric acid tert-butyl ester hydrochloride With triethylamine In toluene; acetonitrile at 20℃; Stage #3: With hydrogenchloride; water In toluene; acetonitrile at 70℃; for 1h; | 90% |
Stage #1: phosgene; 4-amino-2-trifluoromethylbenzonitrile In toluene; acetonitrile at 70℃; for 1h; Stage #2: 2-amino-isobutyric acid tert-butyl ester hydrochloride With triethylamine In acetonitrile at 20℃; Stage #3: With hydrogenchloride In water; acetonitrile at 70℃; for 1h; | 90% |
5,5-dimethyl-imidazolidine-2,4-dione
4-fluoro-2-(trifluoromethyl)benzonitrile
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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Stage #1: 5,5-dimethyl-imidazolidine-2,4-dione With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 0.5h; Stage #2: 4-fluoro-2-(trifluoromethyl)benzonitrile In N,N-dimethyl-formamide for 5h; Heating; | 79% |
Stage #1: 5,5-dimethyl-imidazolidine-2,4-dione With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 0.5h; Stage #2: 4-fluoro-2-(trifluoromethyl)benzonitrile In N,N-dimethyl-formamide for 5h; | 79% |
With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 48h; Inert atmosphere; | 74% |
5,5-dimethyl-imidazolidine-2,4-dione
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With pyridine; oxygen; copper diacetate In dichloromethane for 168h; | 79% |
4-fluoro-2-(trifluoromethyl)benzonitrile
5,5-dimethyl-imidazolidine-2,4-dione
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 24h; | 74% |
5,5-dimethyl-imidazolidine-2,4-dione
4-chloro-2-(trifluoromethyl)benzonitrile
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With 18-crown-6 ether; sodium hydride In N,N-dimethyl-formamide at 140℃; for 60h; | 55% |
5,5-dimethyl-imidazolidine-2,4-dione
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With pyridine; copper diacetate In dichloromethane at 20℃; | 8% |
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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In N-methyl-acetamide; water; ethyl acetate |
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Conditions | Yield |
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With hydrogenchloride; water In acetonitrile at 70℃; for 1h; | |
With hydrogenchloride In water; acetonitrile at 70℃; for 1h; | |
With hydrogenchloride; water In acetonitrile at 70℃; for 1h; |