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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2281672Generated: October 31, 2026

Trifluoroacetic acid → HCID 71554976, compound

https://huagongshe.com/reaction/2281672

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantTriethylamineHCID 8471—
Reactant2,4-Dichlorobenzyl isocyanateHCID 4612708—
ReactantHCID 86682348HCID 86682348—
SolventAcetonitrileHCID 6342—
SolventDichloromethaneHCID 6344—
ProductHCID 71554976HCID 7155497691.1%

Reaction Steps

To a solution of tert-butyl 1-(4-fluorophenylsulfonyl)-1,6-diazaspiro[3.3]heptane-6-carboxylate (452 mg, 1.27 mmol) in dichloromethane (8 mL) was added trifluoroacetic acid (489 μl, 6.34 mmol). After 2 h at ambient temperature, another amount of trifluoroacetic acid was added (300 μl, 3.89 mmol). The reaction mixture was stirred for 1.5 h at ambient temperature and concentrated under reduced pressure. The residue was partitioned in toluene (10 mL) and then concentrated, this procedure was repeated twice to give the unpurified amine (540 mg), which was used directly in the next step without further purification. To a solution of the obtained 1-(4-fluorophenylsulfonyl)-1,6-diazaspiro[3.3]heptanes in acetonitrile (10 mL) was added 2,4-dichloro-1-(isocyanatomethyl)benzene (216 μl, 1.47 mmol) followed by triethylamine (294 μl, 2.11 mmol) and the mixture was stirred for 1 h at ambient temperature. The solvent was evaporated in vacuo and the resulting solid was purified by chromatography (SiO2; heptane:ethyl acetate 1:4 to dichloromethane/methanol/ammonia 95:4.5:0.5) to give the titled compound (530 mg, 91%) as colorless solid. HRMS (EI): 457.0431 (exact mass calculated for C19H17Cl2FN3O3S ([M]+)=457.0430).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09139593B2
Source datasetuspto-grants-2015_09
ORD IDord-d2261def993a4c32bb6bf5fda3f9e2fa
Source noteuspto-grants-2015_09