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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 723242Generated: November 1, 2026

Triethylamine → tert-butyl N-[4-[3-(4-methylpyrimidin-5-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate

https://huagongshe.com/reaction/723242

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
ReactantSodium CarbonateHCID 10340—
ReactantSodium BicarbonateHCID 516892—
Reactant5-Bromo-4-methylpyrimidineHCID 12461863—
Reactant[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]boronic acidHCID 140043492—
CatalystHCID 178418397HCID 178418397—
CatalystHCID 178418476HCID 178418476—
SolventEthanolHCID 702—
SolventTolueneHCID 1140—
SolventEthyl AcetateHCID 8857—
Solvent1,4-DioxaneHCID 31275—
Producttert-butyl N-[4-[3-(4-methylpyrimidin-5-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamateHCID 14585762487%

Reaction Steps

To a flask with a reflux condenser under argon was added 5-Bromo-4-methyl-pyrimidine (9 mg, 0.044 mmol), prepared according to the procedure of Yamanaka, Sakamoto, Nishimura, and Sagi, Chem. Pharm. Bull. 35(8), 3119–3126 (1987). {[4-(3-dihydroxyboranyl-benzenesulfonyl)-5-methylsulfanyl-thiophen-2-yl]-imino-methyl}-carbamic acid tert-butyl ester (20 mg, 0.044 mmol, Example 140: step a), Na2CO3 (2M, 0.220 mL, 0.44 mmol), Pd(PPh3)4 (8 mg, 0.007 mmol), ethanol (0.220 mL) and toluene (0.440 mL). PdCl2(PPh3)2 (42 mg, 0.06 mmol), dioxane (4 mL), and triethylamine (420 μL, 3 mmol) and the mixture was stirred for 2 h 15 min at 90° C. After cooling to rt, EtOAc (2 mL) and NaHCO3 (saturated, 2 mL) were added and the layers were separated. The organic layer concentrated in vacuo followed by purification of the crude material by preparative TLC (5% methanol in dichloromethane) to yield the title compound (19 mg, 87%) as a white solid. 1H-NMR (CDCl3): δ 9.12 (s, 1H), 8.54 (s, 1H), 8.10–7.29 (m, 7H), 2.59 (s, 3H), 2.50 (s, 3H), 1.51 (s, 9H). ESI-MS (m/z): Calcd. for C22H24N4O4S3: 504.1 (M−BOC)+H; found: 405.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07138530B2
Source datasetuspto-grants-2006_11
ORD IDord-dfd15364d38145f98a9a236ef9969c8e
Source noteuspto-grants-2006_11