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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 656674Generated: October 26, 2026

Bicarbonate Ion → TFA-ap-dC

https://huagongshe.com/reaction/656674

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 numberUS08071739B2
Source datasetuspto-grants-2011_12
ORD IDord-493407c240024849b2d88dd7cee71800
Source noteuspto-grants-2011_12