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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 500306Generated: October 26, 2026

Bicarbonate Ion → TFA-ap-dC

https://huagongshe.com/reaction/500306

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBicarbonate IonHCID 769—
ReactantTriethylamineHCID 8471—
ReactantIbacitabineHCID 65050—
Reactant2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamideHCID 11094805—
Reactant3'-O-Azidomethyl-5-[3-(2,2,2-trifluoroacetamido)-prop-1-ynyl]-2'-deoxyuridineHCID 86613610—
CatalystCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
SolventDimethylformamideHCID 6228—
ProductTFA-ap-dCHCID 14768553—

Reaction Steps

To a solution of 5-iodo-2′-deoxycytidine (10 g, 28.32 mmol) in DMF (200 ml) in a light protected round bottom flask under Argon atmosphere, was added CuI (1.08 g, 5.67 mmol), triethylamine (7.80 ml, 55.60 mmol), 2,2,2-trifluoro-N-prop-2-ynyl-acetamide (12.8 g, 84.76 mmol) and at last Pd(PPh)3)4 (3.27 g, 2.83 mmol). After 18 hours at room temperature, dowex bicarbonate (20 mg) was added and the mixture was stirred for a further 1 h. Filtration and evaporation of the volatiles under reduced pressure gave a residue that was purified by flash chromatography on silica gel (CH2Cl2, CH2Cl2:EtOAc 1:1, EtOAc:MeOH 9:1). The expected product (7) was obtained as a beige solid in quantitative yield. 1H NMR (D2O) δ 2.24-2.17 (m, 1H, H-2′), 2.41-2.37 (m, 1H, H-2′), 3.68 (dd, J=12.5, 5.0 Hz, 1H, H-5′), 3.77 (dd, J=12.5, 3.2 Hz, 1H, H-5′), 3.99 (m, 1H, H-4′), 4.27 (s, 2H, CH2N), 4.34 (m, 1H, H-3′), 6.11 (t, J=6.3 Hz, 1H, H-1′), 8.1 (br s, 1H, NH); MS (ES): m/z (%) (M−H) 375 (100).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07771973B2
Source datasetuspto-grants-2010_08
ORD IDord-fa8eae02176b43f4a37a1176455d1e05
Source noteuspto-grants-2010_08