HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1483997Generated: October 30, 2026
Sodium Bicarbonate → sodium (S)-4-amino-5-((1-(3-methylbutanoyl)piperidin-3-yl)methoxy)benzo[c][1,2,6]thiadiazin-1-ide 2,2-dioxide
https://huagongshe.com/reaction/1483997
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | (S)-1-(3-(((4-Amino-2,2-dioxido-1H-benzo(c)(1,2,6)thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one | HCID 73213585 | — |
| Solvent | Water | HCID 962 | — |
| Product | sodium (S)-4-amino-5-((1-(3-methylbutanoyl)piperidin-3-yl)methoxy)benzo[c][1,2,6]thiadiazin-1-ide 2,2-dioxide | HCID 86714321 | 100% |
Reaction Steps
To a suspension of (S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one (2.0 g, 5.07 mmol) (Example 5) in water (25 mL), was added NaHCO3 (425 mg, 5.07 mmol). The reaction was heated to reflux until complete dissolution of solid material occurred, and then concentrated under reduced pressure. The resulting residue was dissolved in water and lyophilized to give the title compound as a beige solid (2.1 g, 100%). 1H NMR (400 MHz, DMSO-d6) δ 0.78-0.96 (m, 6H), 1.21-1.50 (m, 2H), 1.55-1.75 (m, 1H), 1.78-2.07 (m, 3H), 2.10-2.25 (m, 2H), 2.60-2.78 (m, 1H), 2.88-3.15 (m, 2H), 3.65-3.97 (m, 3H), 4.00-4.41 (m, 1H), 5.97 (t, 1H, J=8.0 Hz), 6.21 (d, 1H, J=8.8 Hz), 6.57 (br. s, 2H), 6.95 (d, 1H, J=8.0, 3.2 Hz). MS 395 (MH+—Na).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09420814B2 |
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| Source dataset | uspto-grants-2016_08 |
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| ORD ID | ord-4b33a0b39d664a42aef4e92ee1df27e8 |
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| Source note | uspto-grants-2016_08 |
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