HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1-(chloromethyl)-2-fluoro- → HCID 59752574, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Benzene, 1-(chloromethyl)-2-fluoro- | HCID 9580 | — |
| 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 59752574 | HCID 59752574 | 59% |
Reaction Steps
The title compound (0.042 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; 0.2 mmol) using 2-fluorobenzyl chloride (0.3 mmol) in place of 2-chloromethyl-thiophene. MS (ESI): exact mass calculated for C20H19ClFN3, 355.13. found, m/z 356.2 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.55-7.48 (br m, 4H), 7.39-3.37 (br m, 1H), 7.20-7.14 (m, 3H), 5.54 (s, 2H), 3.48-3.46 (br m, 2H), 3.40-3.38 (br m, 2H), 3.31-3.29 (br m, 2H), 3.13-3.11 (br m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07897771B2 |
| Source dataset | uspto-grants-2011_03 |
| ORD ID | ord-662ab5d5c8844e0f82dea344b438d212 |
| Source note | uspto-grants-2011_03 |