HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2202018Generated: October 29, 2026
p-Acetamidobenzoic acid → HCID 76903447, compound
https://huagongshe.com/reaction/2202018
Participants
| Role | Name | HCID | Charge |
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| Reactant | p-Acetamidobenzoic acid | HCID 19266 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | 1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol | HCID 16790720 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 76903447 | HCID 76903447 | 24% |
Reaction Steps
A solution of 4-acetamidobenzoic acid (100 mg, 0.56 mmol), HATU (234 mg, 0.62 mmol) and TEA (63 mg, 0.62 mmol) in DCM (10 mL) was stirred at 22° C. for 10 min. 1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol (116 mg, 0.56 mmol) was then added and the solution was stirred at 22° C. for another 3 h. The reaction mixture was then diluted with water and extracted with DCM. The organic layers were combined and dried over anhydrous Na2SO4, filtered and concentrated and the residue was purified by prep-HPLC to give the title compound (48.5 mg, Yield 24%). 1H NMR (CD3OD, 400 MHz): δ 7.77-7.72 (m, 2H), 7.63-7.57 (m, 2H), 7.17-7.08 (m, 3H), 7.04 (d, J=7.0 Hz, 1H), 4.12 (t, J=6.0 Hz, 1H), 3.75 (s, 2H), 3.58-3.46 (m, 2H), 2.92-2.85 (m, 4H), 2.74-2.63 (m, 2H), 2.16 (s, 3H). LCMS (m/z): 368.1 (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-bdff3bb6e6af48dcaafebaffa166c87b |
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| Source note | uspto-grants-2016_06 |
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