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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 600096Generated: October 29, 2026

4-(Bromomethyl)-1,2-difluorobenzene → 3-(4-Chloro-phenyl)-1-(3,4-difluoro-benzyl)-1,4,5,6,7,8-hexahydro-1,2,5-triaza-azulene

https://huagongshe.com/reaction/600096

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-(Bromomethyl)-1,2-difluorobenzeneHCID 581436—
Reactant3-(4-chloro-phenyl)-4,6,7,8-tetrahydro-1H-1,2,5-triaza-azulene-5-carboxylic acid tert-butyl esterHCID 67268836—
Product3-(4-Chloro-phenyl)-1-(3,4-difluoro-benzyl)-1,4,5,6,7,8-hexahydro-1,2,5-triaza-azuleneHCID 597526036.6%

Reaction Steps

The title compound (0.005 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, 0.07 g) using 3,4-difluorobenzyl bromide (0.06 g) in place of benzyl chloride in Example 59, Step D. MS (ESI): exact mass calculated for C20H18ClF2N3, 373.12. found, m/z 374.1 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.39-7.34 (m, 4H), 7.16-7.10 (m, 1H), 6.98-6.97 (m, 1H), 6.89-6.88 (m, 1H), 5.27 (s, 2H), 3.81 (s, 2H), 3.09-3.06 (m, 2H), 2.80-2.76 (m, 2H), 1.75-1.70 (m, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07897771B2
Source datasetuspto-grants-2011_03
ORD IDord-50e25b432b544c1b849fc61d5195eae3
Source noteuspto-grants-2011_03