HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2202056Generated: October 31, 2026
Acetic Acid → N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(oxetan-3-ylamino)benzamide
https://huagongshe.com/reaction/2202056
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Sodium cyanoborohydride | HCID 5003444 | — |
| Reactant | 3-Oxetanone | HCID 15024254 | — |
| Reactant | 3-amino-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)benzamide | HCID 90241585 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(oxetan-3-ylamino)benzamide | HCID 76901173 | 14.4% |
Reaction Steps
To a solution of 3-amino-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)benzamide (100 mg, 0.31 mmol) in MeOH (5 mL) was added AcOH (0.05 mL) and oxetan-3-one (22 mg, 0.31 mmol). The mixture was stirred at 22° C. for 2 h. NaBH3CN (98 mg, 1.55 mmol) was added, and the resulting mixture was stirred at 22° C. for 2 h. The reaction solution was concentrated, the residue was washed with water, extracted with EA, the organic layer was concentrated, and the residue was purified by prep-HPLC to give the title compound (17 mg, Yield 14.4%). 1H NMR (CD3OD, 400 MHz): δ 7.17-6.97 (m, 6H), 6.96-6.88 (m, 1H), 6.72-6.62 (m, 1H), 5.03-4.95 (m, 2H), 4.67-4.59 (m, 1H), 4.59-4.49 (m, 2H), 4.15-4.04 (m, 1H), 3.80-3.69 (m, 2H), 3.56-3.40 (m, 2H), 2.96-2.79 (m, 4H), 2.73-2.58 (m, 2H). LCMS (m/z): 382.2 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09365519B2 |
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| Source dataset | uspto-grants-2016_06 |
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| ORD ID | ord-c535c3aa8c354dd69aa13b2d117d0a0c |
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| Source note | uspto-grants-2016_06 |
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