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Iodine → Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester

HRID 430393
Notes
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Reaction equation

HRID 430393 reaction equation
N(OCCC(C)C)=O.[C:9]([O:12][CH2:13][C@@H:14]1[C@@H:18]([O:19][C:20](=[O:22])[CH3:21])[C@@H:17]([O:23][C:24](=[O:26])[CH3:25])[C@H:16]([N:27]2[CH:35]=[N:34][C:33]3[C:28]2=[N:29][C:30](N)=[N:31][C:32]=3[Cl:36])[O:15]1)(=[O:11])[CH3:10].II.C(I)[I:41].[O-]S([O-])(=S)=O.[Na+].[Na+]>C1COCC1.[Cu]I>[C:9]([O:12][CH2:13][C@@H:14]1[C@@H:18]([O:19][C:20](=[O:22])[CH3:21])[C@@H:17]([O:23][C:24](=[O:26])[CH3:25])[C@H:16]([N:27]2[CH:35]=[N:34][C:33]3[C:28]2=[N:29][C:30]([I:41])=[N:31][C:32]=3[Cl:36])[O:15]1)(=[O:11])[CH3:10]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 807IodineHCID 6346DiiodomethaneHCID 8053Isoamyl NitriteHCID 24477Sodium ThiosulfateHCID 10788628(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

Product 1

HCID 482588
Acetic acid (2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-iodo-purin-9-YL)-tetrahydro-furan-2-ylmethyl ester

Reagents, catalysts & solvents 2

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)CatalystHCID 8028TetrahydrofuranSolvent

Procedure

Isoamyl nitrite (5 mL, 37 mmol) was added to a mixture of 5.12 g (12 mmol) [(2R,3R,4R,5R)-3-4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate (6.3), I2 (3.04 g, 12 mmol), CH2I2 (10 mL, 124 mmol), and CuI (2.4 g, 12.6 mmol) in THF (60 mL). The mixture was heated under reflux for 45 minutes and then allowed to cool to room temperature. To this solution was added 100 ml of sat. Na2S2O3 which removed the reddish color due to iodine. The aqueous was extracted 3× with chloroform, which was pooled, dried over MgSO4, and concentrated under reduced pressure. The product was then purified over a silica gel column using CHCl3-MeOH (98:2) to collect [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate (6.4) (80% crystallized from EtOH). 1H NMR (300 MHz, CDCl3) δ8.20 (s, 1H H-8), 6.17 (d, J=5.41 Hz, 1H, H-1′), 5.75 (t, J=5.39 Hz, 1H, H-2′), 5.56 (t, J=5.40 Hz, 1H, H-3′), 4.38 (m, 3H, H-4′,5′), 2.14 (s, 1H, Ac), 2.11 (s, 1H, Ac), 2.10 (s, 1H, Ac).

Workup

  1. temperatureThe mixture was heated
  2. temperatureunder reflux for 45 minutes
  3. customremoved the reddish color due to iodine
  4. extractionThe aqueous was extracted 3× with chloroform, which
  5. dry with materialdried over MgSO4
  6. concentrationconcentrated under reduced pressure
  7. customThe product was then purified over a silica gel column
  8. customto collect [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate (6.4) (80% crystallized from EtOH)

Sources & evidence

ORD record
ord-15c117cb2d8141b2855e4896848ea6b4
Source dataset
uspto-grants-2001_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06322771B1

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes