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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 749784Generated: October 29, 2026

1-(Bromomethyl)-2-(trifluoromethyl)benzene → HCID 59752514, compound

https://huagongshe.com/reaction/749784

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-(Bromomethyl)-2-(trifluoromethyl)benzeneHCID 123057—
ReactantHCID 67268893HCID 67268893—
Reactant3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl esterHCID 67269020—
ProductHCID 59752514HCID 5975251449.3%

Reaction Steps

The title compound (0.04 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-trifluoromethylbenzyl bromide (0.3 mmol) in place of 2-chloromethyl-thiophene. The reaction sequence also yielded 3-(4-chloro-phenyl)-2-(2-trifluoromethyl-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 C21H19ClF3N3, 405.12; found, m/z 406.1 [M+H]+. 1H NMR (400 MHz, CD3OD): 7.45 (d, J=7.7 Hz, 2H), 7.25-7.24 (br m, 3H), 7.18-7.16 (br m, 3H), 6.46-6.44 (br m, 1H), 5.43-5.41 (s, 2H), 3.14-3.11 (br m, 4H), 2.89-2.87 (br m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07402680B2
Source datasetuspto-grants-2008_07
ORD IDord-a6f0c625cef3483c93a38bde1740785d
Source noteuspto-grants-2008_07