Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | HCID 86705064 | HCID 86705064 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | HCID 70562350 | HCID 70562350 | — |
Reaction Steps
A mixture of the product from step C (20 mg, 0.034 mmol, enantiomer A), 2 M HCl (1 mL) and EtOH (2 mL) was heated to 50° C. for 3 h. The volatile was removed under reduced pressure. The residue was purified by Combiflash (mobile phase: MeOH/water (0.08% of NH4HCO3)) to give the title compound. LC/MS m/z=458.7 [M+H]+. 1H NMR (400 MHz, CDCl3) δ 7.50 (d, J=3.6 Hz, 1H), 7.29 (d, J=8.4 Hz, 2H), 7.10 (d, J=7.6 Hz, 1H), 7.05 (d, J=8.8 Hz, 2H), 6.86 (t, J=8.1 Hz, 1H), 6.59-6.58 (m, 2H), 6.40 (d, J=8.4 Hz, 1H), 3.03 (s, 3H), 2.74-2.67 (m, 1H), 2.55-2.45 (m, 2H), 2.26-2.16 (m, 1H), 1.89-1.86 (m, 1H), 1.45-1.38 (m, 1H), 0.67 (t, J=7.2 Hz, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08933113B2 |
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| Source dataset | uspto-grants-2015_01 |
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| ORD ID | ord-35ae0d433b1c4fe4afdbdb8793d6dd63 |
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| Source note | uspto-grants-2015_01 |
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