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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 713154Generated: November 2, 2026

Nitrogen → Methyl 4-(cyclopropoxy)-3-[(4-methoxyphenyl)methylsulfanyl]benzoate

https://huagongshe.com/reaction/713154

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNitrogenHCID 947—
Reactant4-Methoxy-alpha-toluenethiolHCID 80407—
ReactantDiisopropylethylamineHCID 81531—
Reactant1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 636044—
ReactantMethyl 3-bromo-4-cyclopropoxybenzoateHCID 117924638—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventTolueneHCID 1140—
ProductMethyl 4-(cyclopropoxy)-3-[(4-methoxyphenyl)methylsulfanyl]benzoateHCID 11822204689.34%

Reaction Steps

To a solution of methyl 3-bromo-4-(cyclopropoxy)benzoate (530.00 mg, 1.95 mmol, 1.00 eq) and (4-methoxyphenyl)methanethiol (451.12 mg, 2.93 mmol, 1.50 eq) in toluene (10.00 mL) were added Pd2(dba)3 (89.28 mg, 97.50 umol, 0.05 eq), Xantphos (112.83 mg, 195.00 umol, 0.10 eq) and DIPEA (504.04 mg, 3.90 mmol, 2.00 eq) under N2 protection. Then the mixture was stirred at 100° C. for 16 hr N2 protection. TLC detected the reaction was complete, the solvent was evaporated, the residue was washed with water, the aqueous layer was extracted with EA, the combined organic layer was dried over Na2SO4, concentrated, the residue was purified by silica gel chromatography (PE:EA=5:1) to afford product methyl 4-(cyclopropoxy)-3-[(4-methoxyphenyl)methylsulfanyl]benzoate (600.00 mg, 1.74 mmol, 89.34% yield) as white solid. LCMS: 345 [M+1].

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09181288B2
Source datasetuspto-grants-2015_11
ORD IDord-f8af03b5a9664d96a06ba5db7945ea2d
Source noteuspto-grants-2015_11