2,2,2-trifluoro-N’-[(2Z)-piperazin-2-ylidene]acetohydrazide
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 55℃; for 0.5h; | 92% |
With hydrogenchloride In ethanol; water at 50 - 54℃; for 3.5h; Temperature; | 92.6% |
With hydrogenchloride In isopropyl alcohol at 60 - 65℃; for 2h; Temperature; Inert atmosphere; Large scale; | 91% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol at 55 - 60℃; for 1h; Temperature; Solvent; Inert atmosphere; | 90.71% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: 1-trifluoroacetyl-2-piperazinone With hydrazine In water at 50 - 55℃; for 3h; Stage #2: With hydrogenchloride In water for 3h; Reflux; | 86.2% |
3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine With palladium on activated carbon; hydrogen In methanol at 40 - 45℃; under 2625.26 - 3375.34 Torr; for 24h; Stage #2: With hydrogenchloride In isopropyl alcohol at 0 - 5℃; | 82.9% |
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 45 °C / 3345.86 Torr / Large scale 2: hydrogenchloride / Isopropyl acetate / 1 h / 20 °C / Large scale View Scheme | |
With palladium 10% on activated carbon; hydrogen In Isopropyl acetate at 40 - 45℃; under 2585.81 Torr; | 8 g |
3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In Isopropyl acetate at 20℃; for 1h; Large scale; | 51% |
A
sodium (S)-3-amino-4-(2,4,5-trifluorophenyl)butanoate
B
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: (S)-Sitagliptin With water; sodium hydroxide In methanol at 25℃; Reflux; Stage #2: With hydrogenchloride In methanol; water |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: phosphoric acid / 5 h / 75 °C / Large scale 2: palladium 10% on activated carbon; hydrogen / ethanol / 45 °C / 3345.86 Torr / Large scale 3: hydrogenchloride / Isopropyl acetate / 1 h / 20 °C / Large scale View Scheme | |
Multi-step reaction with 2 steps 1: polyphosphoric acid / 5 h / 130 - 135 °C 2: palladium 10% on activated carbon; hydrogen / Isopropyl acetate / 40 - 45 °C / 2585.81 Torr View Scheme |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: sulfuric acid / 12 h / 0 - 85 °C 2.1: hydrogen; palladium on activated carbon / methanol / 24 h / 40 - 45 °C / 2625.26 - 3375.34 Torr 2.2: 0 - 5 °C View Scheme |
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
(R)-tert-butyl 4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-ylcarbamate
Conditions | Yield |
---|---|
With 1,1'-carbonyldiimidazole In tetrahydrofuran at 55 - 60℃; for 12h; | 99.02% |
With triethylamine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In methanol at 20 - 50℃; Reagent/catalyst; Solvent; | 96% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In acetonitrile at 0 - 20℃; for 24h; | 95% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Conditions | Yield |
---|---|
With sodium hydroxide In water; ethyl acetate for 0.166667h; Product distribution / selectivity; | 99% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide In water; ethyl acetate for 0.166667h; Product distribution / selectivity; | 99% |
C-(3-chloropyrazin-2-yl)-methylamine hydrochloride salt
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
N-((3-chloropyrazin-2-yl)methyl)-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxamide
Conditions | Yield |
---|---|
Stage #1: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With N-ethyl-N,N-diisopropylamine; trichloromethyl chloroformate In tetrahydrofuran at 0℃; for 1h; Stage #2: C-(3-chloropyrazin-2-yl)-methylamine hydrochloride salt With triethylamine In dichloromethane for 3h; | 99% |
5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
Conditions | Yield |
---|---|
With 4-methyl-morpholine In ethyl acetate for 6h; Reflux; | 98.1% |
With N-ethyl-N,N-diisopropylamine In Isopropyl acetate at 85℃; for 4h; | 93.3% |
With N-ethyl-N,N-diisopropylamine In Isopropyl acetate at 85℃; for 3.5h; | 92% |
4-Chloro-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxylic acid methyl ester
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
6-Ethyl-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thieno[2,3-d]pyrimidine-2-carboxylic acid methyl ester
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 16h; Reflux; | 98% |
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid; 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In N,N-dimethyl-formamide for 0.166667h; Stage #2: With 2-chloro-1,3-dimethylimidazolinium chloride In N,N-dimethyl-formamide at 20 - 25℃; for 5h; Reagent/catalyst; | 97% |
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
sitagliptin
Conditions | Yield |
---|---|
Stage #1: (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid With triethylamine In dichloromethane for 0.166667h; Stage #2: With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane at 25 - 30℃; for 4h; Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride Further stages; | 96.5% |
(S)-2-benzyloxycarbonylamino-succinic acid 1-methyl ester
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
(S)-2-((benzyloxycarbonyl)amino)-4-oxo-4-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine)butanoic acid methyl ester
Conditions | Yield |
---|---|
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane for 4h; Reflux; | 95% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
sitagliptin
Conditions | Yield |
---|---|
With 2-Ethylhexanoic acid; triethylamine In tetrahydrofuran at 75℃; for 72h; | 95% |
With 2-Ethylhexanoic acid; triethylamine In tetrahydrofuran at 75℃; for 72h; Solvent; Temperature; Reagent/catalyst; Concentration; | 95% |
C17H16F3NO2
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
C23H21F6N5O
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In acetonitrile at 0 - 20℃; for 24h; | 94% |
(3R)-3-azido-4-(2,4,5-trifluorophenyl)-butyric acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
(R)-3-azido-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
Conditions | Yield |
---|---|
Stage #1: (3R)-3-azido-4-(2,4,5-trifluorophenyl)-butyric acid; 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In water; N,N-dimethyl-formamide for 0.25h; Stage #2: With 4-methyl-morpholine In water; N,N-dimethyl-formamide at 10℃; for 0.166667h; Stage #3: With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In water; N,N-dimethyl-formamide at 0℃; for 1h; | 93% |
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 25℃; |
C17H14F3NO3
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
C23H19F6N5O2
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In acetonitrile at 0 - 20℃; for 24h; | 92% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
In acetonitrile at 100℃; for 2h; Solvent; Temperature; Reagent/catalyst; Concentration; | 92% |
C17H16F3NO4S
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
C23H21F6N5O3S
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In acetonitrile at 0 - 20℃; for 24h; | 91% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With triethylamine In 1,2-dichloro-ethane at 70℃; for 48h; | 91% |
2-bromoacetyl chloride
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3h; | 91% |
cycl-isopropylidene malonate
(2,4,5-trifluorophenyl)acetic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
Conditions | Yield |
---|---|
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 45 - 55℃; Large scale reaction; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 50 - 55℃; for 6h; Large scale reaction; | 90% |
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 20 - 50℃; for 2 - 3h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In N,N-dimethyl acetamide at 40 - 70℃; Stage #3: With sodium hydrogencarbonate In N,N-dimethyl acetamide; water at 20 - 45℃; | 89% |
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 50℃; for 2 - 3h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 40 - 55℃; for 6h; | |
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In ISOPROPYLAMIDE at 0 - 40℃; for 2 - 3h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In ISOPROPYLAMIDE at 40 - 70℃; | |
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; N-ethyl-N,N-diisopropylamine In acetonitrile at 50℃; Stage #2: With pivaloyl chloride In acetonitrile at 50℃; for 3.75h; Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With trifluoroacetic acid In acetonitrile at 55℃; for 6h; |
(R)-3-(((benzyloxy)carbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
(R)-benzyl (4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate
Conditions | Yield |
---|---|
Stage #1: (R)-3-(((benzyloxy)carbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In tetrahydrofuran at 0 - 5℃; for 1h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In tetrahydrofuran at 25℃; Stage #3: With sodium hydrogencarbonate In tetrahydrofuran; water | 90% |
Stage #1: (R)-3-(((benzyloxy)carbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With triethylamine In tetrahydrofuran Reflux; | |
With triethylamine; 1,1'-carbonyldiimidazole In tetrahydrofuran at 0℃; Reflux; Inert atmosphere; |
(2,4,5-trifluorophenyl)acetic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
Conditions | Yield |
---|---|
Stage #1: (2,4,5-trifluorophenyl)acetic acid With cycl-isopropylidene malonate; N-ethyl-N,N-diisopropylamine; dmap In ISOPROPYLAMIDE at 20 - 40℃; Stage #2: With pivaloyl chloride In ISOPROPYLAMIDE at 0 - 5℃; for 1 - 3h; Stage #3: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In ISOPROPYLAMIDE at 40 - 70℃; | 89% |
Stage #1: cycl-isopropylidene malonate; (2,4,5-trifluorophenyl)acetic acid With dmap; pivaloyl chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 0 - 40℃; for 2 - 3h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride In N,N-dimethyl acetamide at 40 - 70℃; for 1h; |
para-fluorophenyl isocyanate
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With triethylamine In toluene at 75 - 80℃; for 4h; | 88.2% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: C10H7F3O2 With 1,1'-carbonyldiimidazole In ethyl acetate at 20℃; for 0.5h; Stage #2: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With triethylamine In ethyl acetate at 20℃; Concentration; | 87.2% |
3-nitropropionic acid
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: 3-nitropropionic acid; 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile at 0 - 20℃; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate; acetonitrile | 85% |
With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile at 0 - 20℃; for 20h; | 79% |
With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In acetonitrile at 0 - 20℃; for 20h; | 79% |
Acetic acid 2-acetoxy-3-(4-chloro-6-ethyl-thieno[2,3-d]pyrimidin-2-yloxy)-propyl ester
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
acetic acid 2-acetoxy-3-[6-ethyl-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thieno[2,3-d]pyrimidin-2-yloxy]-propyl ester
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine at 80℃; for 16h; | 85% |
C16H14F3NO4S
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
C22H19F6N5O3S
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In acetonitrile at 0 - 20℃; for 24h; | 85% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
Stage #1: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride With 4-methyl-morpholine In ethyl acetate at 40℃; Stage #2: 5-(2-(3-fluorophenyl)-1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione In ethyl acetate Reflux; | 85% |
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 5h; | 84.5% |
The 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride, with the CAS registry number 762240-92-6. This chemical's molecular formula is C6H8ClF3N4 and molecular weight is 228.6. What's more,Its systematic name is 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride.It is a White Solid and it is Sitagliptin intermediate.
Physical properties about 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride are:
(1)ACD/LogP: -0.206; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Flash Point: 114.8 °C; (7)Enthalpy of Vaporization: 50.41 kJ/mol ; (8)Boiling Point: 266.2 °C at 760 mmHg; (9)Vapour Pressure: 0.00879 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.FC(F)(F)c1nnc2n1CCNC2;
(2)Std. InChI:InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H;
(3)Std. InChIKey:AQCSCRYRCRORET-UHFFFAOYSA-N.
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