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| CAS No.: | 1192491-61-4 |
|---|---|
| Name: | NXL 104 |
| Molecular Structure: | |
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| Formula: | C7H10N3NaO6S |
| Molecular Weight: | 287.229 |
| Synonyms: | AvibactaM SodiuM Salt;NXL 104;Sulfuric Acid Mono[(1R,2S,5R)-2-(aMinocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] Ester SodiuM Salt;Avibactam (sodium);AvibactaM SodiuM NXL 104;sodium (1R,2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate;(2S,5R)-7-Oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide monosodium salt |
| PSA: | 142.44000 |
| LogP: | 0.45350 |
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- 1192651-80-1, 1416134-53-6
({[(2S,5R)-2-carbamoyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3,2,1]-oct-6-yl]oxy}sulfonyl)tetrabutylammonium salt
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| Stage #1: ({[(2S,5R)-2-carbamoyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3,2,1]-oct-6-yl]oxy}sulfonyl)tetrabutylammonium salt With tetrafluoroboric acid; 2,2,2-trifluoroethanol Stage #2: With sodium hydrogencarbonate at 0℃; for 1h; | 100% |
| With sodium 2-ethylhexanoic acid In ethanol; water at 20℃; for 3h; | 99.6% |
| With sodium 2-ethylhexanoic acid In ethanol; water at 20℃; for 3h; | 96.2% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 89% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 88% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 86% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 86% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 86% |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| Stage #1: (2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide With pyridine; sulfur trioxide pyridine complex at 20℃; for 20h; Stage #2: With sodium dihydrogenphosphate In water | 80% |
| Multi-step reaction with 2 steps 1.1: α-picoline; thiocyanate trioxide / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere 2.1: 2,2,2-trifluoroethanol; tetrafluoroboric acid 2.2: 1 h / 0 °C View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine; sulfur trioxide trimethylamine complex / ethanol; water 2: sodium 2-ethylhexanoic acid / ethanol View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine; sulfur trioxide trimethylamine complex / ethanol; water 2: sodium 2-ethylhexanoic acid / ethanol View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hexamethyldisilazane; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 1.2: -78 - 20 °C / Inert atmosphere 2.1: palladium 10% on activated carbon; hydrogen / acetonitrile / 1.33 h / 20 °C / Inert atmosphere 3.1: sodium hydrogencarbonate / dimethylsulfoxide-d6; water-d2 View Scheme |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol; water at 15 - 40℃; for 4h; | 80% |
| With sodium 2-ethylhexanoic acid In ethanol | 4.6 g |
| With sodium isooctanoate In ethanol; water at 35 - 40℃; for 4h; |
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| With sodium 2-ethylhexanoic acid In ethanol | 80% |
- 1192500-31-4
(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicylco[3.2.1]octan-6-yl hydrogensulfate
- 1192491-61-4
(2S,5R)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide 7-oxo-6-(sulfoxy)monosodium salt
| Conditions | Yield |
|---|---|
| In 2-methyl-propan-1-ol for 0.833333h; Solvent; Time; Concentration; Reflux; | 77% |
