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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1477045Generated: October 30, 2026

Sodium Hydroxide → 6-bromo-1-(sec-butyl)-3-methyl-1H-indole-4-carboxylic acid

https://huagongshe.com/reaction/1477045

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium HydroxideHCID 14798—
Reactanttert-Butyl methyl etherHCID 15413—
ReactantMethyl 6-bromo-1-(sec-butyl)-3-methyl-1H-indole-4-carboxylateHCID 67465536—
SolventMethanolHCID 887—
SolventTetrahydrofuranHCID 8028—
Product6-bromo-1-(sec-butyl)-3-methyl-1H-indole-4-carboxylic acidHCID 67465322—

Reaction Steps

Methyl 6-bromo-1-(sec-butyl)-3-methyl-1H-indole-4-carboxylate (3.24 g, 9.99 mmol) was dissolved in methanol (30 mL) and tetrahydrofuran (THF) (7 mL). The contents were stirred for 5 min., and then aq. 3N NaOH (19.99 mL, 60.0 mmol) was added via addition funnel over 3 min. The contents rapidly became a yellow suspension and were stirred at room temperature for 65 h. The volatiles were removed in vacuo and the residue dissolved in water (60 mL). The contents were washed with ether (1×50 mL). The aq layer was cooled in an ice bath and adjusted to pH 3-4 with 1M HCl, from which an oily residue precipitated. The contents were extracted with EtOAc (2×60 mL). The combined organic layers were dried over magnesium sulfate, filtered through celite, and concentrated in vacuo. The residue obtained was treated with TBME, concentrated in vacuo, and then dried under hi vacuum to afford a yellow foam as 3.08 g (93%). 1H NMR (400 MHz, DMSO-d6) δ ppm 0.70 (t, J=7.33 Hz, 3H), 1.39 (d, J=6.82 Hz, 3H), 1.71-1.86 (m, 2H), 2.30 (s, 3H), 4.48-4.62 (m, 1H), 7.40-7.49 (m, 2H), 7.96 (d, J=1.77 Hz, 1H), 12.99 (s, 1H); LCMS=310.0/312.0 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09402836B2
Source datasetuspto-grants-2016_08
ORD IDord-1e9e66914a61474089f00634f10d0dff
Source noteuspto-grants-2016_08