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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1037949Generated: October 30, 2026

Hydrochloric Acid → HCID 53374160, compound

https://huagongshe.com/reaction/1037949

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantTrifluoroacetic acidHCID 6422—
ReactantTriethylamineHCID 8471—
ReactantO-(tert-Butyldimethylsilyl)hydroxylamineHCID 4691350—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
ReactantHCID 67397401HCID 67397401—
SolventDimethyl SulfoxideHCID 679—
SolventDichloromethaneHCID 6344—
ProductHCID 53374160HCID 5337416010.1%

Reaction Steps

To the vial containing crude (R)-tert-butyl 5-(1-(benzothiophene-2-carboxamido)ethyl)thiophene-2-carboxylate from Step 2 was added DCM (4 mL) and trifluoroacetic acid (0.43 mL, 5.6 mmol). The mixture was stirred at rt for 16 h and then completely evaporated to give an oil residue. To the residue was added HATU (0.160 g, 0.42 mmol), triethylamine (0.39 mL, 2.80 mmol), and DCM (4 mL). After stirring at rt for 30 min, O-(tert-butyldimethylsilyl)hydroxylamine (0.083 g, 0.56 mmol) was added. The mixture was stirred at rt for 2 h then the solvent was completely removed to give a sticky brown oil. To this oil residue was added hydrochloric acid (6.0 mL, 1% v/v in IPA). After stirring at rt for 30 min, the mixture was evaporated to dryness to give a solid to which was added DMSO (1.1 mL). The solution was filtered and purified by Gilson prep-HPLC [25-50% MeCN—H2O] to give the title compound (0.0098 g, 10.1%) as a white solid. LC-MS: (FA) ES+ 347; 1H NMR (Methanol-d4, 400 MHz) δ 8.00 (s, 1H), 7.89 (m, 2H), 7.42 (m, 3H), 7.06 (d, J=4.0 Hz, 1H), 5.51 (q, J=7.5 Hz, 1H), 1.69 (d, J=7.0 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08546588B2
Source datasetuspto-grants-2013_10
ORD IDord-9d2cbe417b294171afe12dab69d0c7ae
Source noteuspto-grants-2013_10