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Acetic Acid → 2'-Deoxy-5-iodouridine 3',5'-diacetate

HRID 395288
Notes
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Reaction equation

HRID 395288 reaction equation
[I:1][C:2]1[C:3](=[O:17])[NH:4][C:5](=[O:16])[N:6]([CH:15]=1)[C@@H:7]1[O:14][C@H:11]([CH2:12][OH:13])[C@@H:9]([OH:10])[CH2:8]1.[C:18]([OH:21])(=O)[CH3:19].[C:22](OC(=O)C)(=[O:24])[CH3:23]>CCOCC>[C:22]([O:10][C@@H:9]1[C@@H:11]([CH2:12][O:13][C:18](=[O:21])[CH3:19])[O:14][C@@H:7]([N:6]2[CH:15]=[C:2]([I:1])[C:3](=[O:17])[NH:4][C:5]2=[O:16])[CH2:8]1)(=[O:24])[CH3:23]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 5905IdoxuridineHCID 7918Acetic Anhydride2×

Product 1

HCID 27243472'-Deoxy-5-iodouridine 3',5'-diacetateYield 102.8%

Reagents, catalysts & solvents 1

HCID 3283Diethyl EtherSolvent

Procedure

To 5-iodo-2′-deoxyuridine (2.1) (70.8 g, 200 mmol, 1 eq) in an 500 mL Erlenmeyer flask was added acetic acid (72 g, 68.7 mL, 1200 mmol, 6 eq) and acetic anhydride (51 g, 47.1 mL, 500 mmol, 2.5 eq). In a test tube at 0° C., the catalyst for the reaction was prepared by adding HClO4 (0.5 mL) over acetic anhydride (2 mL). Five drops of the catalyst were added into the Erlenmeyer flask at 0° C. with stirring. The reaction mixture was brought to room temperature and stirred for 4 hours where upon a thick white precipitate formed. The Erlenmeyer flask was filled with ether and stirred vigorously for 30 minutes. The white precipitate was filtered and the white cake was washed with ether (500 mL). The product was dried in the vacuum oven overnight to afford (2.2) (90.1 g, 95%) 1H-NMR (CDCl3) δ(ppm) 9.40 (bs, 1 H, exchangeable, NH), 7.78 (s, 1 H, H-6), 6.18 (dd, J=8.10 Hz, 1 H, H-1′), 5.05 (m, 1 H, H-3′), 4.07-4.25 (m, 3 H, H-6), 4′, 5′), 2.35 (m, 1 H, H-2′b), 1.85-2.12 (m, 7 H, 2×CH3, H-2′a)

Workup

  1. customIn a test tube at 0° C., the catalyst for the reaction was prepared
  2. customwas brought to room temperature
  3. stirringstirred for 4 hours where upon a thick white precipitate
  4. customformed
  5. stirringstirred vigorously for 30 minutes
  6. filtrationThe white precipitate was filtered
  7. washthe white cake was washed with ether (500 mL)
  8. customThe product was dried in the vacuum oven overnight

Sources & evidence

ORD record
ord-f68a6e947b494bb7a61a3e0a8858c397
Source dataset
uspto-grants-2003_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06605611B2

Reaction notes

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