HuagongsheHuagongshe Chemistry Print Report · For research reference only
Picolyl chloride hydrochloride → HCID 59752526, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Picolyl chloride hydrochloride | HCID 23392 | — |
| Reactant | HCID 67268861 | HCID 67268861 | — |
| Reactant | 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester | HCID 67269020 | — |
| Product | HCID 59752526 | HCID 59752526 | 7.4% |
Reaction Steps
The title compound (0.01 g) was prepared from 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester (Example 103, Step B; 0.4 mmol) using 2-chloromethyl-pyridine hydrogen chloride (0.5 mmol) in place of 2-chloromethyl-thiophene. The reaction sequence also yielded 3-(4-chloro-phenyl)-2-pyridin-2-ylmethyl-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester in the alkylation step. MS (ESI): exact mass calculated for C19H19ClN4, 338.13. found, m/z 339.3 [M+H]+. 1H NMR (500 MHz, CDCl3): 8.49-8.48 (m, 1H), 7.56-7.54 (m, 1H), 7.44-7.42 (m, 2H), 7.32-7.30 (m, 2H), 7.19-7.11 (m, 1H), 6.84-6.82 (m, 1H), 5.39 (s, 2H), 2.93-2.87 (m, 4H), 2.76-2.74 (m, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07897771B2 |
| Source dataset | uspto-grants-2011_03 |
| ORD ID | ord-05be09508f03420f9c25cc9233d8fcaa |
| Source note | uspto-grants-2011_03 |