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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 536972Generated: October 26, 2026

Sodium Carbonate → 4-[4-Amino-3-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-carbonitrile

https://huagongshe.com/reaction/536972

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant2-(4,4-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 23142013—
Reactant4-(4-Amino-3-bromo-phenyl)-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-carbonitrileHCID 58995024—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
Product4-[4-Amino-3-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-carbonitrileHCID 58995068100%

Reaction Conditions

Temperature60 °C

Reaction Steps

A solution of 4-(4-amino-3-bromo-phenyl)-1,1-dioxo-hexahydro-1λ6-thiopyran-4-carbonitrile (109 mg, 0.332 mmol, as prepared in the previous step) in DMF (4 mL) was treated with 2-(4,4-dimethyl-cyclohex-1-enyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (94.1 mg, 0.398 mmol) and aq Na2CO3 (1.32 mL, 2.66 mmol, 2.0 M). The mixture was degassed via sonication, placed under Ar, treated with Pd(dppf)Cl2 (24.3 mg, 0.034 mmol), and heated to 60° C. for 24 h. The cooled mixture was diluted with EtOAc and water. The aqueous layer was extracted with EtOAc (4×). The combined organic layers were dried over MgSO4 and concentrated in vacuo. Purification of the residue by silica gel chromatography on a 10-g Isolute SPE column (FlashMaster system) with 25% EtOAc-hexane afforded the title compound (119 mg, 100%) as a white solid. Mass spectrum (ESI, m/z): Calcd. for C20H26N2O2S, 359.2 (M+H). found 359.3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08859602B2
Source datasetuspto-grants-2014_10
ORD IDord-47fc93bd29fd46cdac74c717e851105a
Source noteuspto-grants-2014_10