HuagongsheHuagongshe Chemistry Print Report · For research reference only
tert-butyl (7-cyano-3,4-dihydroisoquinolin-2(1H)-yl)acetate → tert-butyl [7-[amino(hydroxyimino)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]acetate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | tert-butyl (7-cyano-3,4-dihydroisoquinolin-2(1H)-yl)acetate | HCID 86657762 | — |
| Reactant | N'-hydroxy-3H-benzimidazole-5-carboximidamide | HCID 178513241 | — |
| Product | tert-butyl [7-[amino(hydroxyimino)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]acetate | HCID 76787421 | — |
Reaction Steps
The title compound was prepared following procedure described for Intermediate 1, step 2, but starting from tert-butyl (7-cyano-3,4-dihydroisoquinolin-2(1H)-yl)acetate obtained in step 1 (3.32 g; 12.19 mmol) as a pale yellow powder (3.69 g; 99%). 1H NMR (DMSO-d6) δ 9.50 (s, 1H), 7.43-7.40 (m, 1H), 7.33 (m, 1H), 7.08 (d, J=8 Hz, 1H), 5.71 (bs, 2H), 3.68 (s, 2H), 3.30 (s, 2H), 2.78 (s, 4H), 1.43 (s, 9H). HPLC (Method A), Rt 1.82 min (Purity: 91.1%). LC/MS (Method B): 306.2 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08741923B2 |
| Source dataset | uspto-grants-2014_06 |
| ORD ID | ord-b7ac4fa23b65493a930b4025b439ac29 |
| Source note | uspto-grants-2014_06 |