HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4-Dimethylbenzyl chloride → HCID 59752501, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3,4-Dimethylbenzyl chloride | HCID 66018 | — |
| 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 59752501 | HCID 59752501 | — |
Reaction Steps
The title compound (0.003 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 59, Step C; 0.1 g) using 3,4-dimethylbenzyl chloride (0.6 mL) in place of benzyl chloride. MS (ESI): exact mass calculated for C22H24ClN3, 365.17; found, m/z 366.2 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.40-7.38 (m, 2H), 7.35-7.32 (m, 2H), 6.98-6.96 (m, 1H), 6.90-6.86 (m, 1H), 6.72-6.69 (m, 1H), 5.30 (s, 1H), 5.19 (s, 1H), 2.90-2.87 (m, 2H), 2.86-2.82 (m, 2H), 2.77-2.73 (m, 2H), 2.72-2.68 (m, 2H), 2.21 (s, 3H), 2.17 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07402680B2 |
| Source dataset | uspto-grants-2008_07 |
| ORD ID | ord-c9aafb7fec894c819c702a0dd246b1d7 |
| Source note | uspto-grants-2008_07 |