HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 75838Generated: October 29, 2026
Hydrochloric Acid → HCID 67354021, compound
https://huagongshe.com/reaction/75838
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Lithium hydroxide, monohydrate | HCID 168937 | — |
| Reactant | (S)-methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)-N-methylisoxazole-5-carboxamido)-3-methylbutanoate | HCID 67355460 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 67354021 | HCID 67354021 | 39% |
Reaction Steps
(S)-methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)-N-methylisoxazole-5-carboxamido)-3-methylbutanoate (80 mg, 0.17 mmol) was dissolved in THF and water in 2:1 ratio. Lithium hydroxide monohydrate (14 mg, 0.341 mmol) was added and the reaction mixture was stirred at room temperature for 6 hours. The reaction mixture was acidified with dilute HCl and extracted with EtOAc. Organic layer was separated, dried over Na2SO4 and concentrated under reduced pressure to yield 30 mg (39%) of the title compound. MS: ES (−): m/z 453 (M−1); ES (+): m/z 455(M+1); 1HNMR (DMSO-d6, 300 MHz) δ: 9.427(s, 1H), 8.713 (d, 1H), 8.171 (m, 1H), 7.905-7.851 (d, 2H), 7.677-7.524 (m, 3H), 7.283 (m, 1H), 7.183 (t, 1H), 7.068 (m, 1H), 4.661-3.949 (d, 1H), 3.161-2.977 (s, 3H), 2.314 (m, 1H), 1.335-1.065 (d, 3H(×2)).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08835428B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-c8e5bc8679c64ccc87e62bcb406a09ca |
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| Source note | uspto-grants-2014_09 |
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