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Basic Information
| CAS No.: | 945667-22-1 |
|---|---|
| Name: | Saxagliptin hydrate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C18H25N3O2.H2O |
| Molecular Weight: | 333.431 |
| 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; |
| EINECS: | 641-082-3 |
| Appearance: | White solid |
| PSA: | 99.58000 |
| LogP: | 1.73188 |
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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 |
