HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methoxybenzyl chloride → HCID 59752604, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-Methoxybenzyl chloride | HCID 69994 | — |
| 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 59752604 | HCID 59752604 | 25.8% |
Reaction Steps
The title compound (0.095 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; 1 mmol) using 3-methoxy-benzyl chloride (1.5 mmol) in place of 2-chloromethyl-thiophene. MS (ESI): exact mass calculated for C21H22ClN3O, 367.15; found, m/z 368.1 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.60 (d, J=8.5 Hz, 2H), 7.56 (d, J=8.5 Hz, 2H), 7.32 (d, J=7.9 Hz, 1H), 6.92 (dd, J=8.2, 2.1 Hz, 1H), 6.84 (s, 1H), 6.80 (d, J=8.2 Hz, 1H), 5.57 (s, 2H), 3.79 (s, 3H), 3.48-3.46 (br m, 2H), 3.44-3.42 (br m, 2H), 3.33-3.31 (br m, 2H), 3.16-3.14 (br m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07402680B2 |
| Source dataset | uspto-grants-2008_07 |
| ORD ID | ord-70e35e1be5634b6e93cf684633c0ab3b |
| Source note | uspto-grants-2008_07 |