|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
- Name 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
- EINECS616-309-4
- CAS No. 762240-92-6
- DensityN/A
- PSA42.74000
- LogP1.53090
- SolubilityN/A
- Melting Point236-246oC
- FormulaC6H7F3N4.HCl
- Boiling Point266.2 °C at 760 mmHg
- Molecular Weight228.605
- Flash Point114.8 °C
- Transport InformationN/A
- Appearancewhite solid
- Safety45
- Risk Codes25
- Molecular Structure
- Hazard SymbolsT
- SynonymsT
- Article Data30
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride Synthetic route
- 763105-70-0
2,2,2-trifluoro-N’-[(2Z)-piperazin-2-ylidene]acetohydrazide
- 762240-92-6
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% |
- 762240-92-6
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% |
- 762240-92-6
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% |
- 486460-20-2
3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
- 762240-92-6
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 |
- 486460-21-3
3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
- 762240-92-6
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
- 1253056-11-9
sodium (S)-3-amino-4-(2,4,5-trifluorophenyl)butanoate
B
- 762240-92-6
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 |
- 762240-92-6
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 |
- 762240-92-6
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 |
- 486460-00-8
(3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
- 762240-92-6
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
- 486460-23-5
(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% |
- 762240-92-6
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
- 486460-21-3
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 Specification
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.
What can I do for you?
Get Best Price
- 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
- 3-(Trifluoromethyl)-5-p-tolyl-1H-pyrazole
- 762260-71-9CYANINE 3 BIHEXANOIC ACID DYE, POTASSIUM SALT
- 762262-07-7Boronic acid,B-[4-[(cyclohexylamino)carbonyl]phenyl]-
- 762262-09-9Boronic acid,B-(2-methoxy-4-pyridinyl)-
- 762262-11-3Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-
- 762274-49-7L-Prolinamide, N-methyl-L-alanyl-3-methyl-L-valyl-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]- (9CI)，CF3COOH Salt
- 76228-06-34(1H)-Quinolinone,6-bromo-2,3-dihydro-
- 762287-57-0Boronic acid,B-(4-chloro-2-methoxyphenyl)-
- 762287-58-1Boronic acid,B-(2-fluoro-3-methylphenyl)-
- 762287-59-2Boronic acid,B-(3-fluoro-2-methoxyphenyl)-
- 762-29-85,9,13-Pentadecatrien-2-one,6,10,14-trimethyl-
Hot Products
- 147-85-3L-Proline
- 136434-34-9Duloxetine hydrochloride
- 50-56-6Oxytocin
- 129938-20-1Dapoxetine hydrochloride
- 59277-89-3Acyclovir
- 10418-03-82'H-Androst-2-eno[3,2-c]pyrazol-17-ol,17-methyl-, (5a,17b)-
- 80841-78-74-Cloromethyl-5-methyl-1,3-dioxol-2-one
- 135459-87-9Strontium ranelate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin