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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1620909Generated: October 30, 2026

Sodium Carbonate → (2S)-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylthio)-1,1'-biphenyl-4-yl]ethyl}amino)pentan-1-ol

https://huagongshe.com/reaction/1620909

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
ReactantTriphenylphosphineHCID 11776—
Reactant4-(Methylthio)phenylboronic acidHCID 2733959—
Reactant(S)-2-[[(S)-alpha-(Trifluoromethyl)-4-bromobenzyl]amino]-4-methyl-1-pentanolHCID 11256730—
Catalystpalladium(II) acetateHCID 167845—
SolventWaterHCID 962—
Solvent1-PropanolHCID 1031—
SolventEthyl AcetateHCID 8857—
Product(2S)-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylthio)-1,1'-biphenyl-4-yl]ethyl}amino)pentan-1-olHCID 11502160—

Reaction Conditions

Temperature70 °C

Reaction Steps

A stream of nitrogen was passed through a suspension made of the bromide from Step 3 (27.7 g), 4-(methylthio)phenylboronic acid (15.7 g), 2 M Na2CO3 (100 mL) and n-propanol (500 mL) for 15 minutes. A 1:3 mixture (3.5 g) of Pd(OAc)2 and PPh3 was then added and the reaction was warmed to 70° C. and stirred under nitrogen for 8 hours. The mixture was cooled to room temperature, diluted with ethylacetate (500 mL) and poured over water (2 L) and ice (500 g). The ethyl acetate layer was separated and the aqueous further extracted with ethyl acetate (200 mL). The combined ethyl acetate extracts were washed with 0.5 N NaOH (2×200 mL), with aqueous NH4Cl, brine and dried with magnesium sulfate. Removal of the solvent left a residue that was purified by chromatography on SiO2 using a gradient of ethyl acetate and hexanes (1:4 to 1:3) and again with acetone and toluene (1:10). The residue was dissolve in hot hexanes (200 mL) and the solution was allowed to cool to 0° C. under stirring. The obtained solid was filtered and dried to yield the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08772336B2
Source datasetuspto-grants-2014_07
ORD IDord-9ffcba742060484aa54fce3c083350fb
Source noteuspto-grants-2014_07