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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 385341Generated: October 28, 2026

Water → 2-(4-Amino-3-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl ester

https://huagongshe.com/reaction/385341

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantStannous ChlorideHCID 24479—
Reactant4-Methyl-2-(4-nitro-3-trifluoromethyl-phenyl)-pentanoic acid ethyl esterHCID 57995518—
SolventEthanolHCID 702—
Product2-(4-Amino-3-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl esterHCID 5799553389.2%

Reaction Steps

A suspension of 4-methyl-2-(4-nitro-3-trifluoromethyl-phenyl)-pentanoic acid ethyl ester (38.3 g, 115 mmol), tin (II) chloride (87.2 g, 460 mmol) and water (16.6 g, 920 mmol) in ethanol (500 mL) was heated at reflux for four hours. The reaction mixture was concentrated under reduced pressure; the residue was treated with ethyl acetate (300 mL) and aqueous NaOH solution (1 N, 2.5 L). The aqueous layer was extracted with ethyl acetate (3×600 mL). The combined organic layers were washed with brine (1 L), dried over Na2SO4, and concentrated under reduced pressure. The residue was purified by silica-gel flash chromatography eluting with heptane/ethyl acetate (10:1) to give 2-(4-amino-3-trifluoromethyl-phenyl)-4-methyl-pentanoic acid ethyl ester (31.1 g, 89%) as a yellow oil: 1H NMR (300 MHz, CDCl3): δ 7.35 (d, 1H, J=2.1 Hz), 7.27 (dd, 1H, J=8.4, 2.1 Hz), 6.69 (d, 1H, J=8.4 Hz), 4.10 (m, 4H), 3.54 (t, 1H, J=7.8 Hz), 1.91 (m, 1H), 1.58 (m, 1H), 1.44 (m, 1H), 1.21 (t, 3H, J=6.9 Hz), 0.90 (d, 3H, J=6.6 Hz), 0.89 (d, 3H, J=6.6 Hz); 13C NMR (75 MHz, CDCl3): δ 174.14, 143.45, 132.22, 128.58, 125.91 (q, J=4 Hz), 124.80 (q, J=271 Hz), 117.35, 113.60 (q, J=29 Hz), 60.60, 48.54, 42.35, 25.77, 22.46, 22.18, 14.04.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08367863B2
Source datasetuspto-grants-2013_02
ORD IDord-8483974fc4304cd79071cbb5ce06519f
Source noteuspto-grants-2013_02