HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(Bromomethyl)-2,4-difluorobenzene → HCID 11451603, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-(Bromomethyl)-2,4-difluorobenzene | HCID 90297 | — |
| Reactant | 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester | HCID 67269020 | — |
| Reactant | HCID 67269145 | HCID 67269145 | — |
| Product | HCID 11451603 | HCID 11451603 | 40.1% |
Reaction Steps
The title compound (0.030 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 2,4-difluorobenzyl bromide (0.3 mmol) in place of 2-chloromethyl-thiophene. The reaction sequence also yielded 3-(4-chloro-phenyl)-2-(2,4-difluoro-benzyl)-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 C20H18ClF2N3, 373.12; found, m/z 374.1 [M+H]+. 1H NMR (400 MHz, CD3OD): 7.52-7.49 (br m, 4H), 7.27-7.24 (br m, 1H), 7.01-6.99 (br m, 2H), 5.52 (s, 2H), 3.51-3.49 (br m, 2H), 3.43-3.40 (br m, 2H), 3.34-3.31 (br m, 2H), 3.11-3.09 (br m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07402680B2 |
| Source dataset | uspto-grants-2008_07 |
| ORD ID | ord-4f36912331664c27bb75130c13be65e7 |
| Source note | uspto-grants-2008_07 |