Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Lithium Hydroxide | HCID 3939 | — |
| Reactant | HCID 58415291 | HCID 58415291 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 24850409 | HCID 24850409 | — |
Reaction Steps
A mixture of ethyl 1-((3-fluoro-4-(5-(thiazol-2-ylmethyl)benzofuran-2-yl)phenyl)methyl)azetidine-3-carboxylate (290 mg, 644 μmol) in THF (5 mL) was treated with a solution of LiOH (27 mg) in H2O (2 mL) and stirred at 24° C., neutralized with 0.1M aqueous HCl, and concentrated. The resulting solids were collected by filtration and purified by RP-HPLC to give 1-((3-fluoro-4-(5-(thiazol-2-ylmethyl)benzofuran-2-yl)phenyl)methyl)azetidine-3-carboxylic acid as a white solid [hS1P1 EC50=76 nM]. 1H NMR (400 MHz, DMSO-d6) δ ppm 7.93-7.91 (m, 1H), 7.73 (s, 1H), 7.66-7.58 (m, 3H), 7.32-7.28 (m, 4H), 4.44 (s, 2H), 3.65 (br. s, 2H), 3.46 (br. s, 2H), 3.30-3.26 (m, 3H). MS (ESI) m/z: Calculated: 422.1; Observed: 423.2 (M++1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07919519B2 |
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| Source dataset | uspto-grants-2011_04 |
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| ORD ID | ord-6dae00560fa845baa54e8f94c1c520e6 |
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| Source note | uspto-grants-2011_04 |
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