HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Bromomethyl)-1-fluoro-2-methylbenzene → 3-(4-Chloro-phenyl)-1-(4-fluoro-3-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,5-triaza-azulene
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Bromomethyl)-1-fluoro-2-methylbenzene | HCID 2778135 | — |
| Reactant | 3-(4-chloro-phenyl)-4,6,7,8-tetrahydro-1H-1,2,5-triaza-azulene-5-carboxylic acid tert-butyl ester | HCID 67268836 | — |
| Product | 3-(4-Chloro-phenyl)-1-(4-fluoro-3-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,5-triaza-azulene | HCID 59752547 | 0.9% |
Reaction Steps
The title compound (0.001 g) was prepared from 3-(4-chloro-phenyl)-4,6,7,8-tetrahydro-1H-1,2,5-triaza-azulene-5-carboxylic acid tert-butyl ester (Example 59, Step C, 0.1 g) using 4-fluoro-3-methylbenzyl bromide (0.09 g) in place of benzyl chloride in Example 59, Step D. MS (ESI): exact mass calculated for C21H21ClFN3, 369.14; found, m/z 370.1 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.48-7.43 (m, 4H), 7.08-7.06 (m, 1H), 6.99-6.97 (m, 2H), 5.32 (s, 2H), 3.88 (s, 2H), 3.16-3.14 (m, 2H), 2.89-2.86 (m, 2H), 2.22 (d, J=1.6 Hz, 3H), 1.80 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07579470B2 |
| Source dataset | uspto-grants-2009_08 |
| ORD ID | ord-b4029d0aa3944f0eb27f99f601b16938 |
| Source note | uspto-grants-2009_08 |