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Cas Database |
| Name |
Saxagliptin hydrate |
EINECS | 641-082-3 |
| CAS No. | 945667-22-1 | Density | N/A |
| PSA | 99.58000 | LogP | 1.73188 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H25N3O2.H2O | Boiling Point | N/A |
| Molecular Weight | 333.431 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(1S,3S,5S)-2-[(2S)-2-Amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate; |
Article Data | 2 |
Saxagliptin hydrate Synthetic route
- 709031-43-6
3-cyano-(αS)-α-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-β-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid 1,1-dimethylethyl ester
- 945667-22-1
saxagliptin monohydrate
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 3-cyano-(αS)-α-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-β-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid 1,1-dimethylethyl ester With hydrogenchloride In methanol; dichloromethane; water for 18h; Stage #2: With sodium hydroxide; water In methanol; dichloromethane for 0.333333h; pH=9.0 - 10.5; Product distribution / selectivity; | 81% |
| Stage #1: 3-cyano-(αS)-α-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-β-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid 1,1-dimethylethyl ester With hydrogenchloride In water; ethyl acetate at 23℃; for 4h; Stage #2: With water; potassium carbonate In ethyl acetate at 16 - 20℃; for 2h; Product distribution / selectivity; | 77% |
| Stage #1: 3-cyano-(αS)-α-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-β-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid 1,1-dimethylethyl ester With hydrogenchloride In water; isopropyl alcohol at 65℃; for 1.5h; Stage #2: With sodium hydroxide; water; potassium carbonate In dichloromethane; isopropyl alcohol pH=~ 9; Product distribution / selectivity; |
- 945667-22-1
saxagliptin monohydrate
Conditions
| Conditions | Yield |
|---|---|
| With water In ethyl acetate; isopropyl alcohol at 65℃; |
- 945667-22-1
saxagliptin monohydrate
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane; ethanol at 20℃; |
- 945667-22-1
saxagliptin monohydrate
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: saxagliptin monohydrate In dichloromethane; isopropyl alcohol Stage #2: In ethyl acetate |
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