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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1685962Generated: November 4, 2026

Benzoyl chloride, 3-bromo- → N-[4-(2-Amino-2-methyl-propoxy)-3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-phenyl]-3-bromo-benzamide

https://huagongshe.com/reaction/1685962

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzoyl chloride, 3-bromo-HCID 74377—
ReactantDiisopropylethylamineHCID 81531—
Reactant3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-4-(2-methyl-2-nitropropoxy)anilineHCID 67265518—
SolventDichloromethaneHCID 6344—
ProductN-[4-(2-Amino-2-methyl-propoxy)-3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-phenyl]-3-bromo-benzamideHCID 5781462391.9%

Reaction Steps

3-Bromobenzoyl chloride (12 mg, 006 mmol) was added to a solution of 3-(4-bromo-2-methyl-2H-pyrazol-3-yl)-4-(2-methyl-2-nitropropoxy)aniline (18 mg, 0.05 mmol) and N,N-diisopropylethylamine (10 μl, 0.06 mmol) in dichloromethane (0.5 mL) and the mixture was stirred at room temperature. After 1 h, the solution was diluted with dichloromethane, washed with 1M hydrochloric acid and saturated sodium bicarbonate, dried with sodium sulfate, filtered, and evaporated to dryness. The residue was dissolved in methanol (0.5 mL). Acetic acid (0.1 mL) was added followed by zinc dust (33 mg) and the mixture was stirred at room temperature. After 4 h, the suspension was made basic with ammonium hydroxide and extracted twice with ethyl acetate. The combined extracts were evaporated to dryness, purified by preparative LCMS and lyophilized to give the product (24 mg, 91%) as a TFA-salt. LCMS m/z (%)=525.5 (M+H 81Br2 34.2%), 523.3 (M+H 79Br81Br 100.0%), 521.4 (M+H 79Br212.6%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.16 (s, 3 H), 1.18 (s, 3 H), 3.67 (s, 3 H), 3.83 (d, J=9.60 Hz, 1 H), 3.99 (d, J=9.60 Hz, 1 H), 7.29 (d, J=9.09 Hz, 1 H), 7.51 (t, J=7.83 Hz, 1 H), 7.67 (s, 1H), 7.69 (d, J=2.53 Hz, 1 H), 7.78-7.84 (m, 1 H), 7.84-7.92 (m, 3 H), 7.92-7.98 (m, 2 H), 8.14 (t, J=1.77 Hz, 1 H), 10.44 (s, 1 H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08148417B2
Source datasetuspto-grants-2012_04
ORD IDord-8c1ed8a7ea2b4e1aa1aeb63a2408f3a8
Source noteuspto-grants-2012_04