HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trifluoroacetic acid → 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-pyrimidin-2-yl-phenoxy)-propyl]-thiazole-4-carboxylic acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(4-cyano-thiophen-3-yl)-phenoxy]-propyl]-thiazole-4-carboxylic acid | HCID 46836245 | — |
| Reactant | 4-(2-Pyrimidinyl)phenol | HCID 135802682 | — |
| Product | 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-(4-pyrimidin-2-yl-phenoxy)-propyl]-thiazole-4-carboxylic acid | HCID 46836723 | — |
Reaction Steps
The title compound 81 was prepared as a TFA salt in a similar manner to the synthesis of compound 51 by substituting compound 51A with compound 81A: 1H NMR (DMSO-d6): δ 8.83 (d, J=4.88 Hz, 2H), 8.32 (d, J=8.85 Hz, 2H), 8.03 (d, J=4.88 Hz, 1H), 7.79 (d, J=8.85 Hz, 1H), 7.67 (d, J=7.63 Hz, 1H), 7.34-7.49 (m, 5H), 7.04 (d, J=8.85 Hz, 2H), 4.84 (s, 2H), 4.07 (t, J=6.26 Hz, 2H), 3.72 (t, J=5.95 Hz, 2H), 3.18-3.12 (m, 2H), 3.03 (t, J=5.64 Hz, 2H), 2.01-2.07 (m, 2H). ESI (+)/MS: 649 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08232273B2 |
| Source dataset | uspto-grants-2012_07 |
| ORD ID | ord-b056753741ea4e1d98bf9611c565ff5b |
| Source note | uspto-grants-2012_07 |