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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2273458Generated: October 30, 2026

Bicarbonate Ion → TFA-ap-dC

https://huagongshe.com/reaction/2273458

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 numberUS09121060B2
Source datasetuspto-grants-2015_09
ORD IDord-2f611d07f2dd48de914503530db8391c
Source noteuspto-grants-2015_09