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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1049875Generated: November 1, 2026

Benzyl mercaptan → HCID 178513701, compound

https://huagongshe.com/reaction/1049875

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzyl mercaptanHCID 7509—
ReactantDiisopropylethylamineHCID 81531—
Reactant1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 636044—
ReactantHCID 178513510HCID 178513510—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventDichloromethaneHCID 6344—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 178513701HCID 178513701—

Reaction Conditions

Temperature100 °C

Reaction Steps

A mixture of Pd2(dba)3 (20 mg, 0.022 mmol) and Xantphos (51 mg, 0.087 mmol) in 1,4-dioxane (5 mL) is degassed, put under N2 and sonicated. This mixture is then added to a degassed mixture of 1H-Pyrazole-3-carboxylic acid (5-bromo-3-carbamoyl-thiophen-2-yl)-amide (345 mg, 1.09 mmol), phenyl-methanethiol (135 μL, 1.15 mmol) and DIEA (380 μL, 2.18 mmol) in 1,4-dioxane (5 mL). Resulting mixture is stirred at 100° C. under N2. After 75 min, the reaction is diluted with DCM and washed with aqueous NaHCO3. The organic is then dried over MgSO4, filtered and evaporated to an oily residue. This residue is triturated in di-isopropylether, separated by filtration, the cake is dried, and the resulting the solid is used as such.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09382254B2
Source datasetuspto-grants-2016_07
ORD IDord-79a532987da6400086bb7d74b899f9f8
Source noteuspto-grants-2016_07